(1,5-dimethyl-1H-1,3-benzodiazol-2-yl)methanol

• ChemBase ID: 312343
• Molecular Formular: C10H12N2O
• Molecular Mass: 176.21508
• Monoisotopic Mass: 176.09496301
• SMILES: n1c(n(c2c1cc(cc2)C)C)CO
• Canonical SMILES: OCc1nc2c(n1C)ccc(c2)C
• InChI: InChI=1S/C10H12N2O/c1-7-3-4-9-8(5-7)11-10(6-13)12(9)2/h3-5,13H,6H2,1-2H3
• InChIKey: GLLWHKGUVVPVPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,5-dimethyl-1H-1,3-benzodiazol-2-yl)methanol
• IUPAC Traditional name: (1,5-dimethyl-1,3-benzodiazol-2-yl)methanol
• Synonyms: (1,5-dimethyl-1H-benzimidazol-2-yl)methanol

Database IDs

• CAS Number: 68426-72-2
• MDL Number: MFCD08691905

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.172514
• LogD (pH = 7.4): 1.3004904
• Log P: 1.3024181
• Molar Refractivity: 51.0493 cm^3
• Polarizability: 20.639444 Å^3
• Polar Surface Area: 38.05 Å^2