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

• ChemBase ID: 253427
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: c1(n(ccn1)C)C(c1ccccc1)O
• Canonical SMILES: Cn1ccnc1C(c1ccccc1)O
• InChI: InChI=1S/C11H12N2O/c1-13-8-7-12-11(13)10(14)9-5-3-2-4-6-9/h2-8,10,14H,1H3
• InChIKey: YJZWZSIAWLAIRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-imidazol-2-yl)(phenyl)methanol
• IUPAC Traditional name: (1-methylimidazol-2-yl)(phenyl)methanol
• Synonyms: (1-methyl-1H-imidazol-2-yl)(phenyl)methanol

Database IDs

• CAS Number: 30517-60-3
• MDL Number: MFCD01055394
• PubChem SID: 164309337
• PubChem CID: 2859379

CALCULATED PROPERTIES

• Acid pKa: 12.852533
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0071899
• LogD (pH = 7.4): 1.3143408
• Log P: 1.3206979
• Molar Refractivity: 54.4103 cm^3
• Polarizability: 20.94719 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.297

Product Information

• Purity: 95%