N-{2-[(4-chlorophenyl)methoxy]ethyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 524484
• Molecular Formular: C16H19ClN4O2
• Molecular Mass: 334.80066
• Monoisotopic Mass: 334.11965355
• SMILES: c12C(C(=O)NCCOCc3ccc(Cl)cc3)NCCc2[nH]cn1
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)NCCOCc1ccc(cc1)Cl
• InChI: InChI=1S/C16H19ClN4O2/c17-12-3-1-11(2-4-12)9-23-8-7-19-16(22)15-14-13(5-6-18-15)20-10-21-14/h1-4,10,15,18H,5-9H2,(H,19,22)(H,20,21)
• InChIKey: IMSIFNBMQWLMJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(4-chlorophenyl)methoxy]ethyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-{2-[(4-chlorophenyl)methoxy]ethyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-{2-[(4-chlorobenzyl)oxy]ethyl}-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.873176
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.32103273
• LogD (pH = 7.4): 0.8183937
• Log P: 0.9183785
• Molar Refractivity: 88.196 cm^3
• Polarizability: 34.134193 Å^3
• Polar Surface Area: 79.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.17
• LOG S: -3.1
• Polar Surface Area: 79.04 Å^2
• Rotatable Bonds: 6