5-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 663766
• Molecular Formular: C20H20FN3O
• Molecular Mass: 337.3907032
• Monoisotopic Mass: 337.1590405
• SMILES: n1c2c([nH]c1c1ccc(cc1)OC)CCN(C2)Cc1c(F)cccc1
• Canonical SMILES: COc1ccc(cc1)c1nc2c([nH]1)CCN(C2)Cc1ccccc1F
• InChI: InChI=1S/C20H20FN3O/c1-25-16-8-6-14(7-9-16)20-22-18-10-11-24(13-19(18)23-20)12-15-4-2-3-5-17(15)21/h2-9H,10-13H2,1H3,(H,22,23)
• InChIKey: OUAHJRODEUTVJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 5-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 5-(2-fluorobenzyl)-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.324036
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.563036
• LogD (pH = 7.4): 3.133822
• Log P: 3.3431067
• Molar Refractivity: 106.7246 cm^3
• Polarizability: 37.243416 Å^3
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.38
• LOG S: -3.54
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 4