2-{2-[(3-chlorophenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 347814
• Molecular Formular: C19H18ClN3O
• Molecular Mass: 339.81872
• Monoisotopic Mass: 339.11383989
• SMILES: c1(nc2c([nH]1)CCNC2)c1c(OCc2cc(Cl)ccc2)cccc1
• Canonical SMILES: Clc1cccc(c1)COc1ccccc1c1nc2c([nH]1)CCNC2
• InChI: InChI=1S/C19H18ClN3O/c20-14-5-3-4-13(10-14)12-24-18-7-2-1-6-15(18)19-22-16-8-9-21-11-17(16)23-19/h1-7,10,21H,8-9,11-12H2,(H,22,23)
• InChIKey: VGYYFYDZQXIWIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[(3-chlorophenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 2-{2-[(3-chlorophenyl)methoxy]phenyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 2-{2-[(3-chlorobenzyl)oxy]phenyl}-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.909873
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8659575
• LogD (pH = 7.4): 2.594536
• Log P: 3.4214015
• Molar Refractivity: 106.0183 cm^3
• Polarizability: 37.62225 Å^3
• Polar Surface Area: 49.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.05
• LOG S: -3.27
• Polar Surface Area: 49.94 Å^2
• Rotatable Bonds: 4