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

• ChemBase ID: 419561
• Molecular Formular: C15H16ClN3O
• Molecular Mass: 289.76004
• Monoisotopic Mass: 289.09818983
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)Cc1c(Cl)cccc1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)Cc1ccccc1Cl
• InChI: InChI=1S/C15H16ClN3O/c16-12-6-2-1-5-11(12)9-15(20)18-14-10-17-13-7-3-4-8-19(13)14/h1-2,5-6,10H,3-4,7-9H2,(H,18,20)
• InChIKey: SETBTNHMZFQGIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.705323
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9589988
• LogD (pH = 7.4): 2.6080704
• Log P: 2.638474
• Molar Refractivity: 79.4895 cm^3
• Polarizability: 29.97512 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.4
• LOG S: -3.36
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 3