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

• ChemBase ID: 767031
• Molecular Formular: C21H21N3O2
• Molecular Mass: 347.41034
• Monoisotopic Mass: 347.16337693
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ccc(c2c(OC)cccc2)cc1
• Canonical SMILES: COc1ccccc1c1ccc(cc1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C21H21N3O2/c1-26-18-7-3-2-6-17(18)15-9-11-16(12-10-15)21(25)23-20-14-22-19-8-4-5-13-24(19)20/h2-3,6-7,9-12,14H,4-5,8,13H2,1H3,(H,23,25)
• InChIKey: JACKELHSIVYTFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.778853
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8779604
• LogD (pH = 7.4): 3.5151274
• Log P: 3.5438182
• Molar Refractivity: 102.2327 cm^3
• Polarizability: 39.711586 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.12
• LOG S: -4.4
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4