N-[(6-methoxy-1H-1,3-benzodiazol-2-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 712516
• Molecular Formular: C18H17N5O2
• Molecular Mass: 335.35988
• Monoisotopic Mass: 335.13822481
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NCc1nc2c([nH]1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)[nH]c(n2)CNC(=O)c1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C18H17N5O2/c1-11-3-6-17-22-15(10-23(17)9-11)18(24)19-8-16-20-13-5-4-12(25-2)7-14(13)21-16/h3-7,9-10H,8H2,1-2H3,(H,19,24)(H,20,21)
• InChIKey: NHZCVMGHMYZKIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(6-methoxy-1H-1,3-benzodiazol-2-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-[(5-methoxy-3H-1,3-benzodiazol-2-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.415288
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4345117
• LogD (pH = 7.4): 1.6556196
• Log P: 1.659364
• Molar Refractivity: 93.894 cm^3
• Polarizability: 36.153496 Å^3
• Polar Surface Area: 84.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.67
• LOG S: -5.04
• Polar Surface Area: 84.31 Å^2
• Rotatable Bonds: 4