N-{4-[1-(cyclopent-3-en-1-yl)-4-phenyl-1H-imidazol-5-yl]phenyl}acetamide

• ChemBase ID: 328473
• Molecular Formular: C22H21N3O
• Molecular Mass: 343.42164
• Monoisotopic Mass: 343.16846231
• SMILES: n1(c(c(nc1)c1ccccc1)c1ccc(NC(=O)C)cc1)C1CC=CC1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)c1c(ncn1C1CC=CC1)c1ccccc1
• InChI: InChI=1S/C22H21N3O/c1-16(26)24-19-13-11-18(12-14-19)22-21(17-7-3-2-4-8-17)23-15-25(22)20-9-5-6-10-20/h2-8,11-15,20H,9-10H2,1H3,(H,24,26)
• InChIKey: GONRSTXKTACNHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[1-(cyclopent-3-en-1-yl)-4-phenyl-1H-imidazol-5-yl]phenyl}acetamide
• IUPAC Traditional name: N-{4-[3-(cyclopent-3-en-1-yl)-5-phenylimidazol-4-yl]phenyl}acetamide
• Synonyms: N-[4-(1-cyclopent-3-en-1-yl-4-phenyl-1H-imidazol-5-yl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.157702
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.668676
• LogD (pH = 7.4): 3.9049134
• Log P: 3.9092445
• Molar Refractivity: 106.0802 cm^3
• Polarizability: 42.194016 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.76
• LOG S: -4.92
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 4