(1-cyclohexyl-1H-imidazol-5-yl)methanol

• ChemBase ID: 144028
• Molecular Formular: C10H16N2O
• Molecular Mass: 180.24684
• Monoisotopic Mass: 180.12626314
• SMILES: c1c(n(cn1)C1CCCCC1)CO
• Canonical SMILES: OCc1cncn1C1CCCCC1
• InChI: InChI=1S/C10H16N2O/c13-7-10-6-11-8-12(10)9-4-2-1-3-5-9/h6,8-9,13H,1-5,7H2
• InChIKey: WLUAESWSQMVJSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclohexyl-1H-imidazol-5-yl)methanol
• IUPAC Traditional name: (3-cyclohexylimidazol-4-yl)methanol
• Synonyms: (1-Cyclohexyl-1H-imidazol-5-yl)methanol; (1-cyclohexyl-1H-imidazol-5-yl)methanol

Database IDs

• CAS Number: 80304-48-9
• MDL Number: MFCD08060036
• PubChem SID: 162238245
• PubChem CID: 20568533

CALCULATED PROPERTIES

• Acid pKa: 14.425821
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.58791757
• LogD (pH = 7.4): 1.0065945
• Log P: 1.0303737
• Molar Refractivity: 51.6171 cm^3
• Polarizability: 19.837795 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H16N2O

DETAILS

Sigma Aldrich - CBR00479

Other Notes
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Legal Information
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