N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-4-[(2-methylprop-2-en-1-yl)oxy]benzamide

• ChemBase ID: 363653
• Molecular Formular: C20H21N3O2
• Molecular Mass: 335.39964
• Monoisotopic Mass: 335.16337693
• SMILES: n12c(nc(c1)CCNC(=O)c1ccc(OCC(=C)C)cc1)cccc2
• Canonical SMILES: CC(=C)COc1ccc(cc1)C(=O)NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C20H21N3O2/c1-15(2)14-25-18-8-6-16(7-9-18)20(24)21-11-10-17-13-23-12-4-3-5-19(23)22-17/h3-9,12-13H,1,10-11,14H2,2H3,(H,21,24)
• InChIKey: MUSBNIVMDVBSIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-4-[(2-methylprop-2-en-1-yl)oxy]benzamide
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-4-[(2-methylprop-2-en-1-yl)oxy]benzamide
• Synonyms: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-[(2-methylprop-2-en-1-yl)oxy]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.056951
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9653467
• LogD (pH = 7.4): 2.667319
• Log P: 2.6937633
• Molar Refractivity: 98.6092 cm^3
• Polarizability: 37.19283 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.17
• LOG S: -4.35
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 7