5-phenyl-1H-imidazol-2-ol

• ChemBase ID: 803954
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: [nH]1c(ncc1c1ccccc1)O
• Canonical SMILES: Oc1ncc([nH]1)c1ccccc1
• InChI: InChI=1S/C9H8N2O/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)
• InChIKey: JUCLXFPLJNDBJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenyl-1H-imidazol-2-ol
• IUPAC Traditional name: 4-phenyl-3H-imidazol-2-ol
• Synonyms: 5-PHENYL-1H-IMIDAZOL-2-OL

Database IDs

• CAS Number: 6794-69-0

CALCULATED PROPERTIES

• Acid pKa: 10.557846
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.789634
• LogD (pH = 7.4): 1.8022217
• Log P: 1.8026869
• Molar Refractivity: 45.4807 cm^3
• Polarizability: 18.713863 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%