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

• ChemBase ID: 307511
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: n1(c(cnc1)CO)C1CCCC1
• Canonical SMILES: OCc1cncn1C1CCCC1
• InChI: InChI=1S/C9H14N2O/c12-6-9-5-10-7-11(9)8-3-1-2-4-8/h5,7-8,12H,1-4,6H2
• InChIKey: XCKCWPPYXOHBLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclopentyl-1H-imidazol-5-yl)methanol
• IUPAC Traditional name: (3-cyclopentylimidazol-4-yl)methanol
• Synonyms: (1-cyclopentyl-1H-imidazol-5-yl)methanol

Database IDs

• CAS Number: 915919-86-7
• MDL Number: MFCD08060037

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.14334892
• LogD (pH = 7.4): 0.56202585
• Log P: 0.58580506
• Molar Refractivity: 47.0161 cm^3
• Polarizability: 17.998901 Å^3
• Polar Surface Area: 38.05 Å^2