N-[4-(4-phenyl-1H-imidazol-5-yl)phenyl]acetamide

• ChemBase ID: 680982
• Molecular Formular: C17H15N3O
• Molecular Mass: 277.3205
• Monoisotopic Mass: 277.12151212
• SMILES: c1(c([nH]cn1)c1ccc(NC(=O)C)cc1)c1ccccc1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)c1[nH]cnc1c1ccccc1
• InChI: InChI=1S/C17H15N3O/c1-12(21)20-15-9-7-14(8-10-15)17-16(18-11-19-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)(H,20,21)
• InChIKey: SWQIEQYRCWGFGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.756928
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3710287
• LogD (pH = 7.4): 2.6861358
• Log P: 2.6927884
• Molar Refractivity: 83.6537 cm^3
• Polarizability: 34.020287 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.94
• LOG S: -4.59
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 3