[1-(triphenylmethyl)-1H-imidazol-4-yl]methanol

• ChemBase ID: 64094
• Molecular Formular: C23H20N2O
• Molecular Mass: 340.4177
• Monoisotopic Mass: 340.15756327
• SMILES: n1(C(c2ccccc2)(c2ccccc2)c2ccccc2)cnc(c1)CO
• Canonical SMILES: OCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H20N2O/c26-17-22-16-25(18-24-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-16,18,26H,17H2
• InChIKey: DVQYFYUODSFBFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(triphenylmethyl)-1H-imidazol-4-yl]methanol
• IUPAC Traditional name: [1-(triphenylmethyl)imidazol-4-yl]methanol
• Synonyms: 4-(Hydroxymethyl)-1-trityl-1H-imidazole; 4-Hydroxymethyl-1H-tritylimidazole; 1-TRITYL-1H-IMIDAZOLE-4-METHANOL

Database IDs

• CAS Number: 33769-07-2
• MDL Number: MFCD02179553
• PubChem SID: 162029833
• PubChem CID: 382182

CALCULATED PROPERTIES

• Acid pKa: 14.221325
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2134666
• LogD (pH = 7.4): 4.542403
• Log P: 4.549529
• Molar Refractivity: 105.2534 cm^3
• Polarizability: 40.18215 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 226-232°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%; 99%