(1-benzyl-1H-imidazol-2-yl)(4-methoxyphenyl)methanol

• ChemBase ID: 189570
• Molecular Formular: C18H18N2O2
• Molecular Mass: 294.34772
• Monoisotopic Mass: 294.13682783
• SMILES: c1(n(ccn1)Cc1ccccc1)C(c1ccc(cc1)OC)O
• Canonical SMILES: COc1ccc(cc1)C(c1nccn1Cc1ccccc1)O
• InChI: InChI=1S/C18H18N2O2/c1-22-16-9-7-15(8-10-16)17(21)18-19-11-12-20(18)13-14-5-3-2-4-6-14/h2-12,17,21H,13H2,1H3
• InChIKey: UFOHASJMBQKXIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzyl-1H-imidazol-2-yl)(4-methoxyphenyl)methanol
• IUPAC Traditional name: (1-benzylimidazol-2-yl)(4-methoxyphenyl)methanol

Database IDs

• PubChem SID: 164245480
• PubChem CID: 3244151

CALCULATED PROPERTIES

• Acid pKa: 12.852989
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6044266
• LogD (pH = 7.4): 2.8820498
• Log P: 2.8874998
• Molar Refractivity: 85.4861 cm^3
• Polarizability: 33.063175 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds