(4,5-dimethyl-1H-imidazol-2-yl)methanol

• ChemBase ID: 240666
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: n1c(c([nH]c1CO)C)C
• Canonical SMILES: OCc1[nH]c(c(n1)C)C
• InChI: InChI=1S/C6H10N2O/c1-4-5(2)8-6(3-9)7-4/h9H,3H2,1-2H3,(H,7,8)
• InChIKey: XRUICZARPZYJTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4,5-dimethyl-1H-imidazol-2-yl)methanol
• IUPAC Traditional name: (4,5-dimethyl-1H-imidazol-2-yl)methanol
• Synonyms: (4,5-dimethyl-1H-imidazol-2-yl)methanol

Database IDs

• MDL Number: MFCD18450253
• PubChem SID: 164296576
• PubChem CID: 46784770

CALCULATED PROPERTIES

• Acid pKa: 13.733366
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2864583
• LogD (pH = 7.4): -0.5393673
• Log P: -0.508476
• Molar Refractivity: 34.8969 cm^3
• Polarizability: 13.141161 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.579

Product Information

• Purity: 95%