ethyl 5-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate

• ChemBase ID: 92867
• Molecular Formular: C17H16N2O2
• Molecular Mass: 280.32114
• Monoisotopic Mass: 280.12117776
• SMILES: n1c2n(c(ccc2)C)c(c1c1ccccc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(nc2n1c(C)ccc2)c1ccccc1
• InChI: InChI=1S/C17H16N2O2/c1-3-21-17(20)16-15(13-9-5-4-6-10-13)18-14-11-7-8-12(2)19(14)16/h4-11H,3H2,1-2H3
• InChIKey: FEMCXABXVNOHKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
• IUPAC Traditional name: ethyl 5-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
• Synonyms: Ethyl 5-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate

Database IDs

• MDL Number: MFCD03265216
• PubChem SID: 162079565
• PubChem CID: 2736445

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.267949
• LogD (pH = 7.4): 3.2724152
• Log P: 3.2724724
• Molar Refractivity: 82.5017 cm^3
• Polarizability: 32.29653 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true