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

• ChemBase ID: 643268
• Molecular Formular: C19H18ClN3O
• Molecular Mass: 339.81872
• Monoisotopic Mass: 339.11383989
• SMILES: c12C(c3c(OCc4ccc(Cl)cc4)cccc3)NCCc2[nH]cn1
• Canonical SMILES: Clc1ccc(cc1)COc1ccccc1C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C19H18ClN3O/c20-14-7-5-13(6-8-14)11-24-17-4-2-1-3-15(17)18-19-16(9-10-21-18)22-12-23-19/h1-8,12,18,21H,9-11H2,(H,22,23)
• InChIKey: YMNHKTXOTNGAOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.942841
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0018559
• LogD (pH = 7.4): 3.178719
• Log P: 3.3330605
• Molar Refractivity: 95.2746 cm^3
• Polarizability: 36.939156 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: 3.15
• LOG S: -3.36
• Polar Surface Area: 49.94 Å^2
• Rotatable Bonds: 4