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

• ChemBase ID: 673145
• Molecular Formular: C21H21N3O
• Molecular Mass: 331.41094
• Monoisotopic Mass: 331.16846231
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(C(c1ccccc1)c1ccccc1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C21H21N3O/c25-21(23-19-15-22-18-13-7-8-14-24(18)19)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15,20H,7-8,13-14H2,(H,23,25)
• InChIKey: YHBVPYRMEMPXSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.496512
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0354009
• LogD (pH = 7.4): 3.6812875
• Log P: 3.7112195
• Molar Refractivity: 99.3542 cm^3
• Polarizability: 37.697052 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.29
• LOG S: -4.43
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 4