2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

• ChemBase ID: 164253
• Molecular Formular: C15H11Cl2N3O
• Molecular Mass: 320.17334
• Monoisotopic Mass: 319.02791735
• SMILES: c1cc(cn2c1nc(c2CC(=O)N)c1ccc(cc1)Cl)Cl
• Canonical SMILES: NC(=O)Cc1c(nc2n1cc(Cl)cc2)c1ccc(cc1)Cl
• InChI: InChI=1S/C15H11Cl2N3O/c16-10-3-1-9(2-4-10)15-12(7-13(18)21)20-8-11(17)5-6-14(20)19-15/h1-6,8H,7H2,(H2,18,21)
• InChIKey: ZOUWHRHJCHJSGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
• IUPAC Traditional name: 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
• Synonyms: {6-Chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl}acetamide; 6-Chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-acetamide

Database IDs

• CAS Number: 82626-73-1
• PubChem SID: 162258388
• PubChem CID: 13068195

CALCULATED PROPERTIES

• Acid pKa: 14.649294
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5375378
• LogD (pH = 7.4): 2.747988
• Log P: 2.7515213
• Molar Refractivity: 83.3175 cm^3
• Polarizability: 32.865055 Å^3
• Polar Surface Area: 60.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Brown Solid

DETAILS

Toronto Research Chemicals - C365610

A metabolite of Alpidem.

REFERENCES

• Padovani, P., et al.: Eur. J. Drug Metab. Pharmacokinetics, 12, 295 (1987).