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

• ChemBase ID: 779683
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(OCCOCC)cccc1
• Canonical SMILES: CCOCCOc1ccccc1C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H23N3O3/c1-2-23-11-12-24-15-8-4-3-7-14(15)18(22)20-17-13-19-16-9-5-6-10-21(16)17/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,20,22)
• InChIKey: OUDVNAMJFCPMPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.244631
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5422435
• LogD (pH = 7.4): 2.1779318
• Log P: 2.2064252
• Molar Refractivity: 92.8886 cm^3
• Polarizability: 34.97964 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.74
• LOG S: -3.09
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 7