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

• ChemBase ID: 735457
• Molecular Formular: C20H19N3O
• Molecular Mass: 317.38436
• Monoisotopic Mass: 317.15281224
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(c2ccccc2)cccc1
• Canonical SMILES: O=C(c1ccccc1c1ccccc1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C20H19N3O/c24-20(22-19-14-21-18-12-6-7-13-23(18)19)17-11-5-4-10-16(17)15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,22,24)
• InChIKey: OQXZFJHRGONJME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.795717
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0360496
• LogD (pH = 7.4): 3.6728497
• Log P: 3.7014894
• Molar Refractivity: 95.7695 cm^3
• Polarizability: 37.21945 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: 3.27
• LOG S: -4.31
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 3