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

• ChemBase ID: 345492
• Molecular Formular: C15H16ClN3O2
• Molecular Mass: 305.75944
• Monoisotopic Mass: 305.09310445
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)COc1c(Cl)cccc1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)COc1ccccc1Cl
• InChI: InChI=1S/C15H16ClN3O2/c16-11-5-1-2-6-12(11)21-10-15(20)18-14-9-17-13-7-3-4-8-19(13)14/h1-2,5-6,9H,3-4,7-8,10H2,(H,18,20)
• InChIKey: VLJHMOSOQVIISR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.5277815
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6528122
• LogD (pH = 7.4): 2.2920551
• Log P: 2.3210378
• Molar Refractivity: 80.7297 cm^3
• Polarizability: 30.699173 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: 2.46
• LOG S: -3.53
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4