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

• ChemBase ID: 806504
• Molecular Formular: C28H23N3O
• Molecular Mass: 417.50172
• Monoisotopic Mass: 417.18411237
• SMILES: C(O)(c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccncc1
• Canonical SMILES: OC(c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccncc1
• InChI: InChI=1S/C28H23N3O/c32-27(22-16-18-29-19-17-22)26-20-31(21-30-26)28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21,27,32H
• InChIKey: WKIHEQYNXPKUBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pyridin-4-yl)[1-(triphenylmethyl)-1H-imidazol-4-yl]methanol
• IUPAC Traditional name: pyridin-4-yl[1-(triphenylmethyl)imidazol-4-yl]methanol
• Synonyms: PYRIDIN-4-YL(1-TRITYL-1H-IMIDAZOL-4-YL)METHANOL

Database IDs

• CAS Number: 224168-75-6

CALCULATED PROPERTIES

• Acid pKa: 12.902917
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.907413
• LogD (pH = 7.4): 5.2619786
• Log P: 5.268286
• Molar Refractivity: 127.4544 cm^3
• Polarizability: 48.875256 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%