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

• ChemBase ID: 730348
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: C1(c2nc[nH]c2CCN1)C(=O)N(CCc1nc2c([nH]1)ccc(c2)OC)CC
• Canonical SMILES: CCN(C(=O)C1NCCc2c1nc[nH]2)CCc1nc2c([nH]1)ccc(c2)OC
• InChI: InChI=1S/C19H24N6O2/c1-3-25(19(26)18-17-14(6-8-20-18)21-11-22-17)9-7-16-23-13-5-4-12(27-2)10-15(13)24-16/h4-5,10-11,18,20H,3,6-9H2,1-2H3,(H,21,22)(H,23,24)
• InChIKey: ZKFKOPXHPCOYDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.067673
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.3446413
• LogD (pH = 7.4): 0.263902
• Log P: 0.3805594
• Molar Refractivity: 101.3931 cm^3
• Polarizability: 40.222126 Å^3
• Polar Surface Area: 98.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 0.38
• LOG S: -2.21
• Polar Surface Area: 98.93 Å^2
• Rotatable Bonds: 6