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

• ChemBase ID: 642979
• Molecular Formular: C20H19N3O2
• Molecular Mass: 333.38376
• Monoisotopic Mass: 333.14772686
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(Oc2ccccc2)cccc1
• Canonical SMILES: O=C(c1ccccc1Oc1ccccc1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C20H19N3O2/c24-20(22-19-14-21-18-12-6-7-13-23(18)19)16-10-4-5-11-17(16)25-15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,22,24)
• InChIKey: ICXQQRLORQEKSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Polarizability: 36.558964 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.054364
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8903992
• LogD (pH = 7.4): 3.5260568
• Log P: 3.5545511
• Molar Refractivity: 96.8741 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1
• Log P: 3.62
• LOG S: -4.72