N-[2-(4-chlorophenyl)ethyl]-2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}acetamide

• ChemBase ID: 738543
• Molecular Formular: C16H19ClN4O
• Molecular Mass: 318.80126
• Monoisotopic Mass: 318.12473893
• SMILES: c12c([nH]cn1)CCN(C2)CC(=O)NCCc1ccc(Cl)cc1
• Canonical SMILES: O=C(CN1CCc2c(C1)nc[nH]2)NCCc1ccc(cc1)Cl
• InChI: InChI=1S/C16H19ClN4O/c17-13-3-1-12(2-4-13)5-7-18-16(22)10-21-8-6-14-15(9-21)20-11-19-14/h1-4,11H,5-10H2,(H,18,22)(H,19,20)
• InChIKey: CEXSNBMHKPTJCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-chlorophenyl)ethyl]-2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}acetamide
• IUPAC Traditional name: N-[2-(4-chlorophenyl)ethyl]-2-{1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl}acetamide
• Synonyms: N-[2-(4-chlorophenyl)ethyl]-2-(1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.034056
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.2326664
• LogD (pH = 7.4): 1.0538669
• Log P: 1.1207284
• Molar Refractivity: 87.3067 cm^3
• Polarizability: 33.42341 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.99
• LOG S: -3.22
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 5