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

• ChemBase ID: 359508
• Molecular Formular: C18H22N4O3
• Molecular Mass: 342.39228
• Monoisotopic Mass: 342.16919058
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ccc(cc1)OCCNC(=O)C
• Canonical SMILES: CC(=O)NCCOc1ccc(cc1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H22N4O3/c1-13(23)19-9-11-25-15-7-5-14(6-8-15)18(24)21-17-12-20-16-4-2-3-10-22(16)17/h5-8,12H,2-4,9-11H2,1H3,(H,19,23)(H,21,24)
• InChIKey: JQPBHWZJYMBQDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.750309
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.2525504
• LogD (pH = 7.4): 0.889759
• Log P: 0.91845554
• Molar Refractivity: 94.4901 cm^3
• Polarizability: 35.510246 Å^3
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.66
• LOG S: -2.26
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 6