1-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 242816
• Molecular Formular: C12H13N3
• Molecular Mass: 199.25172
• Monoisotopic Mass: 199.11094743
• SMILES: n1(c2c(nc1)CNCC2)c1ccccc1
• Canonical SMILES: c1ccc(cc1)n1cnc2c1CCNC2
• InChI: InChI=1S/C12H13N3/c1-2-4-10(5-3-1)15-9-14-11-8-13-7-6-12(11)15/h1-5,9,13H,6-8H2
• InChIKey: YDZXAXIEQPOBPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 1-phenyl-4H,5H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 1-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

Database IDs

• MDL Number: MFCD20429999
• PubChem SID: 164298726
• PubChem CID: 13150256

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9430729
• LogD (pH = 7.4): -0.20458297
• Log P: 0.483
• Molar Refractivity: 70.0297 cm^3
• Polarizability: 23.686407 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.303

Product Information

• Purity: 95%