N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-phenylbutanamide

• ChemBase ID: 678910
• Molecular Formular: C17H21N3O
• Molecular Mass: 283.36814
• Monoisotopic Mass: 283.16846231
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CCCc1ccccc1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CCCc1ccccc1
• InChI: InChI=1S/C17H21N3O/c21-17(11-6-9-14-7-2-1-3-8-14)19-16-13-18-15-10-4-5-12-20(15)16/h1-3,7-8,13H,4-6,9-12H2,(H,19,21)
• InChIKey: ASRQDVDVJLWWKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-phenylbutanamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-phenylbutanamide
• Synonyms: 4-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.833259
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2420104
• LogD (pH = 7.4): 2.8928907
• Log P: 2.9235668
• Molar Refractivity: 83.8867 cm^3
• Polarizability: 31.779766 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.9
• LOG S: -3.74
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5