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

• ChemBase ID: 481620
• Molecular Formular: C17H21N3O
• Molecular Mass: 283.36814
• Monoisotopic Mass: 283.16846231
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)Cc1c(ccc(c1)C)C
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)Cc1cc(C)ccc1C
• InChI: InChI=1S/C17H21N3O/c1-12-6-7-13(2)14(9-12)10-17(21)19-16-11-18-15-5-3-4-8-20(15)16/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,21)
• InChIKey: MXRBAJCBABDSIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.706415
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.381782
• LogD (pH = 7.4): 3.0308664
• Log P: 3.0612721
• Molar Refractivity: 84.7671 cm^3
• Polarizability: 31.62279 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: 2.72
• LOG S: -3.59
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 3