2,4-dibromo-1-(triphenylmethyl)-1H-imidazole

• ChemBase ID: 291136
• Molecular Formular: C22H16Br2N2
• Molecular Mass: 468.18384
• Monoisotopic Mass: 465.96802252
• SMILES: Brc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(Br)n1
• Canonical SMILES: Brc1cn(c(n1)Br)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H16Br2N2/c23-20-16-26(21(24)25-20)22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
• InChIKey: XXGYCEHPOQAPKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromo-1-(triphenylmethyl)-1H-imidazole
• IUPAC Traditional name: 2,4-dibromo-1-(triphenylmethyl)imidazole
• Synonyms: 2,4-Dibromo-1-trityl-1H-imidazole

Database IDs

• CAS Number: 871269-06-6
• MDL Number: MFCD07363849
• PubChem SID: 180676667
• PubChem CID: 7204881

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.273476
• LogD (pH = 7.4): 7.2737455
• Log P: 7.273749
• Molar Refractivity: 115.0495 cm^3
• Polarizability: 43.2514 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%; 98%