2-(benzyloxy)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}benzamide

• ChemBase ID: 827211
• Molecular Formular: C21H21N3O2
• Molecular Mass: 347.41034
• Monoisotopic Mass: 347.16337693
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(OCc2ccccc2)cccc1
• Canonical SMILES: O=C(c1ccccc1OCc1ccccc1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C21H21N3O2/c25-21(23-20-14-22-19-12-6-7-13-24(19)20)17-10-4-5-11-18(17)26-15-16-8-2-1-3-9-16/h1-5,8-11,14H,6-7,12-13,15H2,(H,23,25)
• InChIKey: DJPFGYWQOSINCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}benzamide
• IUPAC Traditional name: 2-(benzyloxy)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}benzamide
• Synonyms: 2-(benzyloxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.237067
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9568853
• LogD (pH = 7.4): 3.5925725
• Log P: 3.6210659
• Molar Refractivity: 101.7091 cm^3
• Polarizability: 38.339836 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.2
• LOG S: -4.47
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5