N-[(3-methyl-1-benzofuran-2-yl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 863405
• Molecular Formular: C17H18N4O2
• Molecular Mass: 310.35042
• Monoisotopic Mass: 310.14297584
• SMILES: c12C(C(=O)NCc3c(c4c(o3)cccc4)C)NCCc2[nH]cn1
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)NCc1oc2c(c1C)cccc2
• InChI: InChI=1S/C17H18N4O2/c1-10-11-4-2-3-5-13(11)23-14(10)8-19-17(22)16-15-12(6-7-18-16)20-9-21-15/h2-5,9,16,18H,6-8H2,1H3,(H,19,22)(H,20,21)
• InChIKey: VXXIEZLLXOPAMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methyl-1-benzofuran-2-yl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-[(3-methyl-1-benzofuran-2-yl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-[(3-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.659262
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.28521514
• LogD (pH = 7.4): 0.8539367
• Log P: 0.9538552
• Molar Refractivity: 86.1075 cm^3
• Polarizability: 34.003304 Å^3
• Polar Surface Area: 82.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.32
• LOG S: -3.05
• Polar Surface Area: 82.95 Å^2
• Rotatable Bonds: 3