N-{[2-(1H-1,3-benzodiazol-1-yl)pyridin-3-yl]methyl}-2-{imidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 474336
• Molecular Formular: C22H18N6O
• Molecular Mass: 382.41792
• Monoisotopic Mass: 382.15420923
• SMILES: n1(c2c(CNC(=O)Cc3n4c(nc3)cccc4)cccn2)cnc2c1cccc2
• Canonical SMILES: O=C(Cc1cnc2n1cccc2)NCc1cccnc1n1cnc2c1cccc2
• InChI: InChI=1S/C22H18N6O/c29-21(12-17-14-24-20-9-3-4-11-27(17)20)25-13-16-6-5-10-23-22(16)28-15-26-18-7-1-2-8-19(18)28/h1-11,14-15H,12-13H2,(H,25,29)
• InChIKey: AOQNVYHJFPRLBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(1H-1,3-benzodiazol-1-yl)pyridin-3-yl]methyl}-2-{imidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-{[2-(1,3-benzodiazol-1-yl)pyridin-3-yl]methyl}-2-{imidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-{[2-(1H-benzimidazol-1-yl)pyridin-3-yl]methyl}-2-imidazo[1,2-a]pyridin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.214121
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1814151
• LogD (pH = 7.4): 1.9708587
• Log P: 2.0031831
• Molar Refractivity: 120.5137 cm^3
• Polarizability: 42.636475 Å^3
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.41
• LOG S: -4.3
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5