N,N-dimethyl-2-[6-(2H3)methyl-2-(4-methylphenyl)(2H3)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetamide

• ChemBase ID: 172133
• Molecular Formular: C19H19N3O2
• Molecular Mass: 321.37306
• Monoisotopic Mass: 321.14772686
• SMILES: c1cc(cn2c1nc(c2C(=O)C(=O)N(C)C)c1ccc(cc1)C)C
• Canonical SMILES: Cc1ccc(cc1)c1nc2n(c1C(=O)C(=O)N(C)C)cc(cc2)C
• InChI: InChI=1S/C19H19N3O2/c1-12-5-8-14(9-6-12)16-17(18(23)19(24)21(3)4)22-11-13(2)7-10-15(22)20-16/h5-11H,1-4H3
• InChIKey: WJEFEBYRIBQJRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-[6-(^2H₃)methyl-2-(4-methylphenyl)(^2H₃)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetamide
• IUPAC Traditional name: N,N-dimethyl-2-[6-(^2H₃)methyl-2-(4-methylphenyl)(^2H₃)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetamide
• Synonyms: N,N-(Dimethyl-d6)-2-(6-methyl-2-p-tolylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetamide; 2-Keto Zolpidem-d6; N,N,6-(Trimethyl-d6)-2-(4-methylphenyl)-α-oxoimidazo[1,2-a]pyridine-3-acetamide

Database IDs

• PubChem SID: 164228043
• PubChem CID: 71749704

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8853219
• LogD (pH = 7.4): 2.8969696
• Log P: 2.8971202
• Molar Refractivity: 94.4738 cm^3
• Polarizability: 36.504257 Å^3
• Polar Surface Area: 54.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - K425002

A labelled impurity of Zolpidem (Z650000).