2-(thiophen-2-yl)imidazo[1,2-a]pyridine

• ChemBase ID: 114520
• Molecular Formular: C11H8N2S
• Molecular Mass: 200.25962
• Monoisotopic Mass: 200.04081927
• SMILES: c1(nc2n(c1)cccc2)c1sccc1
• Canonical SMILES: c1csc(c1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C11H8N2S/c1-2-6-13-8-9(12-11(13)5-1)10-4-3-7-14-10/h1-8H
• InChIKey: HZILEJRCRXMSNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)imidazo[1,2-a]pyridine
• IUPAC Traditional name: 2-(thiophen-2-yl)imidazo[1,2-a]pyridine
• Synonyms: 2-(2-thienyl)imidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD00507037
• PubChem SID: 162099563
• PubChem CID: 2828724

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.338511
• LogD (pH = 7.4): 2.5658653
• Log P: 2.5697732
• Molar Refractivity: 57.5905 cm^3
• Polarizability: 22.92031 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.854

Product Information

• Purity: 95%