1-phenyl-1H-imidazo[4,5-c]pyridine

• ChemBase ID: 243351
• Molecular Formular: C12H9N3
• Molecular Mass: 195.21996
• Monoisotopic Mass: 195.0796473
• SMILES: n1(cnc2c1ccnc2)c1ccccc1
• Canonical SMILES: c1ccc(cc1)n1cnc2c1ccnc2
• InChI: InChI=1S/C12H9N3/c1-2-4-10(5-3-1)15-9-14-11-8-13-7-6-12(11)15/h1-9H
• InChIKey: CTOGPLXHZSSJBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-1H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 1-phenylimidazo[4,5-c]pyridine
• Synonyms: 1-phenyl-1H-imidazo[4,5-c]pyridine

Database IDs

• MDL Number: MFCD03674877
• PubChem SID: 164299261
• PubChem CID: 5328473

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4417565
• LogD (pH = 7.4): 1.4426881
• Log P: 1.4427
• Molar Refractivity: 67.8052 cm^3
• Polarizability: 24.130308 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.568

Product Information

• Purity: 95%