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

• ChemBase ID: 184008
• Molecular Formular: C19H19N3O
• Molecular Mass: 305.37366
• Monoisotopic Mass: 305.15281224
• SMILES: c12nc[nH]c2CCNC1c1ccc(OCc2ccccc2)cc1
• Canonical SMILES: c1ccc(cc1)COc1ccc(cc1)C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C19H19N3O/c1-2-4-14(5-3-1)12-23-16-8-6-15(7-9-16)18-19-17(10-11-20-18)21-13-22-19/h1-9,13,18,20H,10-12H2,(H,21,22)
• InChIKey: IPORPIQXJQGXGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164239918
• PubChem CID: 15502866

CALCULATED PROPERTIES

• Acid pKa: 12.943983
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0175631
• LogD (pH = 7.4): 2.4144804
• Log P: 2.7290158
• Molar Refractivity: 90.4698 cm^3
• Polarizability: 35.09729 Å^3
• Polar Surface Area: 49.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Tautomers
• Classification: Rare Derivatives of Natural Compounds