N-{4-[2-(6-methylquinolin-5-yl)-1H-imidazol-1-yl]phenyl}acetamide

• ChemBase ID: 621730
• Molecular Formular: C21H18N4O
• Molecular Mass: 342.39382
• Monoisotopic Mass: 342.14806122
• SMILES: c1(n(c2ccc(NC(=O)C)cc2)ccn1)c1c2c(nccc2)ccc1C
• Canonical SMILES: CC(=O)Nc1ccc(cc1)n1ccnc1c1c(C)ccc2c1cccn2
• InChI: InChI=1S/C21H18N4O/c1-14-5-10-19-18(4-3-11-22-19)20(14)21-23-12-13-25(21)17-8-6-16(7-9-17)24-15(2)26/h3-13H,1-2H3,(H,24,26)
• InChIKey: GOYYXOQNQYDXHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[2-(6-methylquinolin-5-yl)-1H-imidazol-1-yl]phenyl}acetamide
• IUPAC Traditional name: N-{4-[2-(6-methylquinolin-5-yl)imidazol-1-yl]phenyl}acetamide
• Synonyms: N-{4-[2-(6-methylquinolin-5-yl)-1H-imidazol-1-yl]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.842594
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.282121
• LogD (pH = 7.4): 3.6616085
• Log P: 3.669967
• Molar Refractivity: 122.9335 cm^3
• Polarizability: 41.0274 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.61
• LOG S: -4.78
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 3