[2-(4-chlorophenyl)-1H-imidazol-4-yl]methanol

• ChemBase ID: 238799
• Molecular Formular: C10H9ClN2O
• Molecular Mass: 208.64426
• Monoisotopic Mass: 208.0403406
• SMILES: n1c([nH]cc1CO)c1ccc(cc1)Cl
• Canonical SMILES: OCc1c[nH]c(n1)c1ccc(cc1)Cl
• InChI: InChI=1S/C10H9ClN2O/c11-8-3-1-7(2-4-8)10-12-5-9(6-14)13-10/h1-5,14H,6H2,(H,12,13)
• InChIKey: GKMJIUZSWDMSNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-chlorophenyl)-1H-imidazol-4-yl]methanol
• IUPAC Traditional name: [2-(4-chlorophenyl)-1H-imidazol-4-yl]methanol
• Synonyms: [2-(4-chlorophenyl)-1H-imidazol-4-yl]methanol

Database IDs

• MDL Number: MFCD10568330
• PubChem SID: 164294709
• PubChem CID: 57368647

CALCULATED PROPERTIES

• Acid pKa: 12.021939
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5736042
• LogD (pH = 7.4): 1.793952
• Log P: 1.7977128
• Molar Refractivity: 65.2129 cm^3
• Polarizability: 21.728329 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.765

Product Information

• Purity: 95%