2-(6-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol

• ChemBase ID: 307059
• Molecular Formular: C10H12N2O
• Molecular Mass: 176.21508
• Monoisotopic Mass: 176.09496301
• SMILES: n1c([nH]c2c1ccc(c2)C)CCO
• Canonical SMILES: OCCc1nc2c([nH]1)cc(cc2)C
• InChI: InChI=1S/C10H12N2O/c1-7-2-3-8-9(6-7)12-10(11-8)4-5-13/h2-3,6,13H,4-5H2,1H3,(H,11,12)
• InChIKey: JCTXVOXHNXUCGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-(5-methyl-3H-1,3-benzodiazol-2-yl)ethanol
• Synonyms: 2-(6-methyl-1H-benzimidazol-2-yl)ethanol

Database IDs

• CAS Number: 18046-41-8
• MDL Number: MFCD15205341

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6295829
• LogD (pH = 7.4): 1.2917308
• Log P: 1.3157548
• Molar Refractivity: 50.852 cm^3
• Polarizability: 20.642946 Å^3
• Polar Surface Area: 48.91 Å^2