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

• ChemBase ID: 856984
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)COCc1ccccc1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)COCc1ccccc1
• InChI: InChI=1S/C16H19N3O2/c20-16(12-21-11-13-6-2-1-3-7-13)18-15-10-17-14-8-4-5-9-19(14)15/h1-3,6-7,10H,4-5,8-9,11-12H2,(H,18,20)
• InChIKey: FKGFEDYYCJHMNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.126906
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0820062
• LogD (pH = 7.4): 1.7214352
• Log P: 1.7504412
• Molar Refractivity: 81.0288 cm^3
• Polarizability: 30.630283 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: 2.32
• LOG S: -3.26
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5