(5-methyl-2-phenyl-1H-imidazol-4-yl)methanol

• ChemBase ID: 288622
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: Cc1c(CO)nc(c2ccccc2)[nH]1
• Canonical SMILES: OCc1nc([nH]c1C)c1ccccc1
• InChI: InChI=1S/C11H12N2O/c1-8-10(7-14)13-11(12-8)9-5-3-2-4-6-9/h2-6,14H,7H2,1H3,(H,12,13)
• InChIKey: RUEBPOOTFCZRBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methyl-2-phenyl-1H-imidazol-4-yl)methanol
• IUPAC Traditional name: (5-methyl-2-phenyl-1H-imidazol-4-yl)methanol
• Synonyms: 4-Hydroxymethyl-5-methyl-2-phenylimidazole; (5-methyl-2-phenyl-1H-imidazol-4-yl)methanol

Database IDs

• CAS Number: 13682-32-1
• PubChem SID: 180674153
• PubChem CID: 83658

CALCULATED PROPERTIES

• Acid pKa: 12.358355
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.91283643
• LogD (pH = 7.4): 1.3816254
• Log P: 1.3932295
• Molar Refractivity: 65.5578 cm^3
• Polarizability: 21.63395 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%