2-phenyl-5-[(2,3,4-trimethoxyphenyl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 521450
• Molecular Formular: C22H25N3O3
• Molecular Mass: 379.4522
• Monoisotopic Mass: 379.18959168
• SMILES: n1c2c([nH]c1c1ccccc1)CCN(C2)Cc1c(c(c(cc1)OC)OC)OC
• Canonical SMILES: COc1c(ccc(c1OC)OC)CN1CCc2c(C1)nc([nH]2)c1ccccc1
• InChI: InChI=1S/C22H25N3O3/c1-26-19-10-9-16(20(27-2)21(19)28-3)13-25-12-11-17-18(14-25)24-22(23-17)15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3,(H,23,24)
• InChIKey: RSOPNFKDAZLHFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-5-[(2,3,4-trimethoxyphenyl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 2-phenyl-5-[(2,3,4-trimethoxyphenyl)methyl]-1H,4H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 2-phenyl-5-(2,3,4-trimethoxybenzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.256066
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.0364912
• LogD (pH = 7.4): 2.8515716
• Log P: 2.8850622
• Molar Refractivity: 119.4346 cm^3
• Polarizability: 42.63822 Å^3
• Polar Surface Area: 59.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.6
• LOG S: -3.18
• Polar Surface Area: 59.61 Å^2
• Rotatable Bonds: 6