[1-(triphenylmethyl)-1H-imidazol-5-yl]methanol

• ChemBase ID: 286876
• Molecular Formular: C23H20N2O
• Molecular Mass: 340.4177
• Monoisotopic Mass: 340.15756327
• SMILES: OCc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: OCc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H20N2O/c26-17-22-16-24-18-25(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: UZFZFGRYJBNHFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(triphenylmethyl)-1H-imidazol-5-yl]methanol
• IUPAC Traditional name: [3-(triphenylmethyl)imidazol-4-yl]methanol
• Synonyms: (1-Trityl-1H-imidazol-5-yl)methanol; (3-Trityl-3H-imidazol-4-yl)-methanol

Database IDs

• CAS Number: 172498-89-4
• PubChem SID: 180672407
• PubChem CID: 18422555

CALCULATED PROPERTIES

• Acid pKa: 14.407085
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.982264
• LogD (pH = 7.4): 4.370529
• Log P: 4.388058
• Molar Refractivity: 105.6531 cm^3
• Polarizability: 40.181892 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%