[1-(propan-2-yl)-1H-imidazol-5-yl]methanol

• ChemBase ID: 307509
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: n1(c(cnc1)CO)C(C)C
• Canonical SMILES: OCc1cncn1C(C)C
• InChI: InChI=1S/C7H12N2O/c1-6(2)9-5-8-3-7(9)4-10/h3,5-6,10H,4H2,1-2H3
• InChIKey: ONPSVGKOIVAXHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(propan-2-yl)-1H-imidazol-5-yl]methanol
• IUPAC Traditional name: (3-isopropylimidazol-4-yl)methanol
• Synonyms: (1-isopropyl-1H-imidazol-5-yl)methanol

Database IDs

• CAS Number: 80304-46-7
• MDL Number: MFCD08691606

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.439013
• LogD (pH = 7.4): -0.019514225
• Log P: 0.0044861943
• Molar Refractivity: 39.7703 cm^3
• Polarizability: 15.046372 Å^3
• Polar Surface Area: 38.05 Å^2