5-[(2,5-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 479543
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: N1(C(c2c([nH]cn2)CC1)c1oc(cc1)C)Cc1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)CN1CCc2c(C1c1ccc(o1)C)nc[nH]2)OC
• InChI: InChI=1S/C20H23N3O3/c1-13-4-6-18(26-13)20-19-16(21-12-22-19)8-9-23(20)11-14-10-15(24-2)5-7-17(14)25-3/h4-7,10,12,20H,8-9,11H2,1-3H3,(H,21,22)
• InChIKey: MCYQMPYMEGUDIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2,5-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 5-[(2,5-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 5-(2,5-dimethoxybenzyl)-4-(5-methyl-2-furyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.913398
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.353638
• LogD (pH = 7.4): 2.1647205
• Log P: 2.2142005
• Molar Refractivity: 99.7683 cm^3
• Polarizability: 38.07218 Å^3
• Polar Surface Area: 63.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.92
• LOG S: -2.41
• Polar Surface Area: 63.52 Å^2
• Rotatable Bonds: 5