6-(2H3)methyl-2-(4-methylphenyl)(5,7,8-2H3)imidazo[1,2-a]pyridine-3-carbaldehyde

• ChemBase ID: 179670
• Molecular Formular: C16H14N2O
• Molecular Mass: 250.29516
• Monoisotopic Mass: 250.11061308
• SMILES: c1cc(cn2c1nc(c2C=O)c1ccc(cc1)C)C
• Canonical SMILES: O=Cc1c(nc2n1cc(C)cc2)c1ccc(cc1)C
• InChI: InChI=1S/C16H14N2O/c1-11-3-6-13(7-4-11)16-14(10-19)18-9-12(2)5-8-15(18)17-16/h3-10H,1-2H3
• InChIKey: VJLDYAKVOYGTDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(^2H₃)methyl-2-(4-methylphenyl)(5,7,8-^2H₃)imidazo[1,2-a]pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-(^2H₃)methyl-2-(4-methylphenyl)(5,7,8-^2H₃)imidazo[1,2-a]pyridine-3-carbaldehyde
• Synonyms: 6-Methyl-2-(4-methylphenyl)-imidazo[1,2-a]pyridine-3-carboxaldehyde-d6; 6-Methyl-2-p-tolylimidazo[1,2-a]pyridine-3-carbaldehyde-d6; Zolpidem Carbaldehyde-d6

Database IDs

• PubChem SID: 164235580
• PubChem CID: 71753033

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4186463
• LogD (pH = 7.4): 3.4515345
• Log P: 3.4519713
• Molar Refractivity: 77.2445 cm^3
• Polarizability: 29.81525 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - Z650032

A labelled impurity of Zolpidem (Z650000).