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

• ChemBase ID: 839918
• Molecular Formular: C19H21N3O2
• Molecular Mass: 323.38894
• Monoisotopic Mass: 323.16337693
• SMILES: n1c2c([nH]c1c1ccc(cc1)OC)CCN(C2)Cc1oc(cc1)C
• Canonical SMILES: COc1ccc(cc1)c1nc2c([nH]1)CCN(C2)Cc1ccc(o1)C
• InChI: InChI=1S/C19H21N3O2/c1-13-3-6-16(24-13)11-22-10-9-17-18(12-22)21-19(20-17)14-4-7-15(23-2)8-5-14/h3-8H,9-12H2,1-2H3,(H,20,21)
• InChIKey: HBIPULUOEIDNCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.324007
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1562209
• LogD (pH = 7.4): 2.3617444
• Log P: 2.4602127
• Molar Refractivity: 104.0488 cm^3
• Polarizability: 36.225555 Å^3
• Polar Surface Area: 54.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.95
• LOG S: -3.07
• Polar Surface Area: 54.29 Å^2
• Rotatable Bonds: 4