2-methyl-1H-1,3-benzodiazol-4-ol

• ChemBase ID: 310142
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: n1c2c([nH]c1C)cccc2O
• Canonical SMILES: Cc1nc2c([nH]1)cccc2O
• InChI: InChI=1S/C8H8N2O/c1-5-9-6-3-2-4-7(11)8(6)10-5/h2-4,11H,1H3,(H,9,10)
• InChIKey: HLPAESMITTURFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1H-1,3-benzodiazol-4-ol
• IUPAC Traditional name: 2-methyl-1H-1,3-benzodiazol-4-ol
• Synonyms: 2-methyl-1H-benzimidazol-4-ol

Database IDs

• CAS Number: 94977-60-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6466448
• LogD (pH = 7.4): 0.95338994
• Log P: 1.0790035
• Molar Refractivity: 41.3901 cm^3
• Polarizability: 17.022102 Å^3
• Polar Surface Area: 48.91 Å^2