2-(4-methanesulfonylphenyl)imidazo[1,2-a]pyridine

• ChemBase ID: 130323
• Molecular Formular: C14H12N2O2S
• Molecular Mass: 272.32228
• Monoisotopic Mass: 272.06194863
• SMILES: CS(=O)(=O)c1ccc(cc1)c1cn2ccccc2n1
• Canonical SMILES: CS(=O)(=O)c1ccc(cc1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C14H12N2O2S/c1-19(17,18)12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13/h2-10H,1H3
• InChIKey: VSLIUWLPFRVCDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methanesulfonylphenyl)imidazo[1,2-a]pyridine
• IUPAC Traditional name: zolimidine
• Synonyms: Zolimidine

Database IDs

• CAS Number: 1222-57-7
• PubChem SID: 162224602
• PubChem CID: 14652
• ATC CODE: A02BX10
• Chemspider ID: 13985
• KEGG ID: D07075
• Wikipedia Title: Zolimidine

CALCULATED PROPERTIES

• Acid pKa: 19.683764
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2732006
• LogD (pH = 7.4): 1.6256677
• Log P: 1.6329336
• Molar Refractivity: 74.7042 cm^3
• Polarizability: 30.21727 Å^3
• Polar Surface Area: 51.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true