2-methyl-1H-1,3-benzodiazol-5-ol

• ChemBase ID: 311325
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: n1c([nH]c2c1cc(cc2)O)C
• Canonical SMILES: Oc1ccc2c(c1)nc([nH]2)C
• InChI: InChI=1S/C8H8N2O/c1-5-9-7-3-2-6(11)4-8(7)10-5/h2-4,11H,1H3,(H,9,10)
• InChIKey: TXOLHBXPXDTNOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1H-1,3-benzodiazol-5-ol
• IUPAC Traditional name: 2-methyl-1H-1,3-benzodiazol-5-ol
• Synonyms: 2-methyl-1H-benzimidazol-5-ol

Database IDs

• CAS Number: 41292-66-4
• MDL Number: MFCD12031291

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.015786849
• LogD (pH = 7.4): 0.9678324
• Log P: 1.0790035
• Molar Refractivity: 41.3901 cm^3
• Polarizability: 17.015203 Å^3
• Polar Surface Area: 48.91 Å^2