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

• ChemBase ID: 459669
• Molecular Formular: C21H23N3O
• Molecular Mass: 333.42682
• Monoisotopic Mass: 333.18411237
• SMILES: N1(C(c2c([nH]cn2)CC1)c1ccc(cc1)OC)Cc1c(C)cccc1
• Canonical SMILES: COc1ccc(cc1)C1N(CCc2c1nc[nH]2)Cc1ccccc1C
• InChI: InChI=1S/C21H23N3O/c1-15-5-3-4-6-17(15)13-24-12-11-19-20(23-14-22-19)21(24)16-7-9-18(25-2)10-8-16/h3-10,14,21H,11-13H2,1-2H3,(H,22,23)
• InChIKey: HOIIWGBDUBNMSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.938954
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6071053
• LogD (pH = 7.4): 3.556569
• Log P: 3.6254852
• Molar Refractivity: 100.8057 cm^3
• Polarizability: 38.711124 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: 2.81
• LOG S: -3.02
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 4