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

• ChemBase ID: 732320
• Molecular Formular: C17H21N3O
• Molecular Mass: 283.36814
• Monoisotopic Mass: 283.16846231
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1cc(c(cc1C)C)C
• Canonical SMILES: O=C(c1cc(C)c(cc1C)C)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C17H21N3O/c1-11-8-13(3)14(9-12(11)2)17(21)19-16-10-18-15-6-4-5-7-20(15)16/h8-10H,4-7H2,1-3H3,(H,19,21)
• InChIKey: RILOQYYBFPHQGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.400719
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9287896
• LogD (pH = 7.4): 3.5658538
• Log P: 3.5945282
• Molar Refractivity: 85.7569 cm^3
• Polarizability: 31.523043 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.19
• LOG S: -3.99
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 2