Synthesis, crystal structure and Hirshfeld surface analysis of 3-ethyl-2-(methyl-sulfan-yl)-5,5-diphenyl-3-imidazol-4(5)-one (Thio-phenytoin analogue).

In the title mol-ecule, 3-ethyl-2-(methyl-sulfan-yl)-5,5-diphenyl-3-imidazol-4(5)-one, CHNOS, the two substituent phenyl rings are inclined of 59.50 (7) and 83.53 (8)° with respect to the plane of the five-membered ring.

Synthesis, crystal structure and Hirshfeld surface analysis of 5,5-diphenyl-3-(prop-2-yn-1-yl)imidazolidine-2,4-dione.

The new phenytoin analogue 5,5-diphenyl-3-(2-propyn-1-yl)imidazolidine-2,4-dione, CHNO (), was obtained through an alkyl-ation reaction with propargyl bromide the phase-transfer catalysis method, and its structure was determined single-crystal X-ray diffraction analysis. The asymmetric unit of consists of two independent mol-ecules differing mainly in the orientation of the propynyl group. Each mol-ecule forms an inversion dimer through pairs of N2-H2⋯O2 hydrogen bonds.

Synthesis, crystal structure and Hirshfeld surface analysis of 5,5-diphenyl-2-[2-(propan-2-yl-idene)hydrazin-1-yl]-4,5-di-hydro-1-imidazol-4-one ,-di-methyl-formamide hemisolvate.

The asymmetric unit of the title structure, 2CHNO·CHNO, consists of two independent mol-ecules of the substituted imidazolone having different conformations, and one mol-ecule of solvent DMF. The two imidazolone mol-ecules are linked by N-H⋯N and C-H⋯O hydrogen bonds and the DMF is joined to one of these by an N-H⋯O hydrogen bond. Additional N-H⋯N and C-H⋯O hydrogen bonds link these groups into corrugated layers parallel to the (101) plane with the layers joined by C-H⋯π (ring) inter-actions.

2-Chloro--(4-hy-droxy-phen-yl)acetamide.

The title compound, CHClNO, is significantly distorted from planarity, with a twist angle between the planes through the hy-droxy-benzene and acetamide groups being 23.5 (2)°. This conformation is supported by intra-molecular C-H⋯O and N-H⋯Cl contacts.

Synthesis, crystal structure and Hirshfeld surface analysis of 2-{4-[(2-chloro-phen-yl)meth-yl]-3-methyl-6-oxopyridazin-1-yl}--phenyl-acetamide.

In the title mol-ecule, CHClNO, the 2-chloro-phenyl group is disordered to a small extent [occupancies 0.875 (2)/0.125 (2)].

Rational Design of Selective TMPRSS6 Peptidomimetic Inhibitors via Exploitation of the S2 Subpocket.

TMPRSS6 is a potential therapeutic target for the treatment of iron overload due to its role in regulating levels of hepcidin. Although potent TMPRSS6 inhibitors have been previously developed, their lack of specificity requires optimization to avoid potential side effects before pursuing preclinical development with models. Here, using computer-aided drug design based on a TMPRSS6 homology model, we reveal that the S2 position of TMPRSS6 offers a potential avenue to achieve selectivity against other members of the TTSP family.

Synthesis, crystal structure and Hirshfeld surface analysis of 2-[(4-hy-droxy-phen-yl)amino]-5,5-diphenyl-1-imidazol-4(5)-one.

In the title mol-ecule, CHNO, the five-membered ring is slightly ruffled and dihedral angles between the pendant six-membered rings and the central, five-membered ring vary between 50.78 (4) and 86.78 (10)°.

Synthesis, design, , and (streptozotocin-induced diabetes in mice) biological evaluation of novels -arylacetamide derivatives.

The organic compounds 2-chloro--(aryl)acetamide and 2-azido--(aryl)acetamide were synthesized and analyzed using H, C NMR. The acute oral toxicity study was carried out according to OECD guidelines, which approve that the compounds (Ps18 and 153) were nontoxic. In addition, the compounds were evaluated for its antidiabetic and antihyperglycemic properties ( and ) and for antioxidant activity by utilizing several tests as 1,1-diphenyl2-picrylhydrazyl , (2,2'-azino-bis(3-ethyl benzthiazoline-6-sulfonicacid) , reducing power test and hydrogen peroxide activity .

3-Methyl-2-(methyl-sulfan-yl)-5,5-diphenyl-3,5-di-hydro-4-imidazol-4-one.

In the title mol-ecule, CHNOS, the di-hydro-imidazolone ring is slightly puckered and the methyl-sulfanyl group is nearly coplanar with it. In the crystal, two sets of C-H⋯O hydrogen bonds form corrugated layers of mol-ecules parallel to the plane. The layers pack with normal van der Waals contacts between them.

15,15-Diphenyl-2,3,4,5,6,8,9,11,12-octa-hydro-imidazo[2,1-][1,4,12]trioxa[7]thia-[9]azacyclo-tetra-decin-14(15)-one.

The title mol-ecule, CHNOS, adopts a cup-shaped conformation. In the crystal, layers lying parallel to the plane are formed by C-H⋯O hydrogen bonds and C-H⋯π(ring) inter-actions. The layers stack along the -axis direction through normal van der Waals inter-actions.

3-(2-Bromo-eth-yl)-5,5-di-phenyl-imidazolidine-2,4-dione.

The imidazolidine ring in the title mol-ecule, CHBrNO, is slightly ruffled [r.m.s.

2-Azido--(4-methyl-phen-yl)acetamide.

The asymmetric unit of the title compound, CHNO, comprises three independent mol-ecules, two pairs of which differ significantly in the rotational orientation of the azido group and one pair having very similar conformations; the N-N-C-C torsion angles are -173.9 (2), -102.7 (2) and -173.

3-Isobutyl-5,5-di-phenyl-imidazolidine-2,4-dione.

The imidazolidine ring in the title mol-ecule, CHNO, is slightly 'ruffled'. In the crystal, a layer structure is generated by N-H⋯O and C-H⋯O hydrogen bonds plus C-H⋯π(ring) inter-actions.

Crystal structure and Hirshfeld surface analysis of 2-azido--(4-fluoro-phen-yl)acetamide.

The asymmetric unit of the title compound, CHFNO, consists of two independent mol-ecules differing in the orientation of the azido group. Each mol-ecule forms N-H⋯O hydrogen-bonded chains along along the -axis direction with its symmetry-related counterparts and the chains are connected by C-F⋯π(ring), C=O⋯π(ring) and slipped π-stacking inter-actions. A Hirshfeld surface analysis of these inter-actions was performed.

Crystal structure and Hirshfeld surface analysis of 2-chloro--(4-meth-oxy-phen-yl)acetamide.

In the title mol-ecule, CHClNO, the meth-oxy group lies very close to the plane of the phenyl ring while the acetamido group is twisted out of this plane by 28.87 (5)°. In the crystal, a three-dimensional structure is generated by N-H⋯O, C-H⋯O and C-H⋯Cl hydrogen bonds plus C-H⋯π(ring) inter-actions.

Synthesis, molecular docking, ADMET evaluation and cytotoxic activity evaluation on RD and L20B cell lines of 3-substituted 5,5-diphenylimidazolidine-2,4-dione derivatives.

Hydantoins comprise an important class of compounds which have long attracted attention due to their remarkable biological and pharmacological properties including antitumor and antiviral activities. As a continuation of our studies on hydantoins derivatives we report the successful synthesis of hydantoins derivatives. These synthesized compounds were evaluated for their cytotoxic activity against (African green monkey kidney cell line) and Human cell lines using methotrexate drug () as a reference drug in cytotoxic activity studies.

New styrylquinoxaline: synthesis, structural, biological evaluation, ADMET prediction and molecular docking investigations.

The organic compound ()-3-(4-methylstyryl)quinoxalin-2(1)-one (SQO) with molecular formula CHNO was synthesized and analyzed using single crystal X-ray diffraction, H, C NMR and FTIR spectroscopic techniques. The geometric parameters of the molecule was optimized by density-functional theory (DFT) choosing B3LYP with 6-31++G(d,p) basis set. For compatibility, the theoretical structure and experimental structure were overlapped with each other.

Design, synthesis, structural and molecular characterization, toxicity, psychotropic activity and molecular docking evaluation of a novel phenytoin derivative: 3-decyl-5,5-diphenylimidazolidine-2,4-dione.

The hydantoin scaffold is of substantial importance and it is commonly used in drug discovery. Herein, we report the synthesis of a novel phenytoine (a hydantoin derivative) with high yield by the reaction of phenytoin with 1-bromodecyl agent. Namely, 3-decyl-5,5- diphenylimidazolidine-2,4-dione (3DDID).