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

• ChemBase ID: 312431
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: n1c([nH]c2c1cc(cc2)OCC)CO
• Canonical SMILES: CCOc1ccc2c(c1)nc([nH]2)CO
• InChI: InChI=1S/C10H12N2O2/c1-2-14-7-3-4-8-9(5-7)12-10(6-13)11-8/h3-5,13H,2,6H2,1H3,(H,11,12)
• InChIKey: YDASGJWFOCWHRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 889961-14-2
• MDL Number: MFCD20503049

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.58735836
• LogD (pH = 7.4): 0.76163083
• Log P: 0.76445735
• Molar Refractivity: 52.3232 cm^3
• Polarizability: 21.456726 Å^3
• Polar Surface Area: 58.14 Å^2