4,5-dibromo-1-(triphenylmethyl)-1H-imidazole

• ChemBase ID: 92700
• Molecular Formular: C22H16Br2N2
• Molecular Mass: 468.18384
• Monoisotopic Mass: 465.96802252
• SMILES: n1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(c1Br)Br
• Canonical SMILES: Brc1ncn(c1Br)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H16Br2N2/c23-20-21(24)26(16-25-20)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: ZHVSCWZZBQRLCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dibromo-1-(triphenylmethyl)-1H-imidazole
• IUPAC Traditional name: 4,5-dibromo-1-(triphenylmethyl)imidazole
• Synonyms: 4,5-Dibromo-1-trityl-1H-imidazole; 4,5-Dibromo-1-trityl-1H-imidazole; 4,5-Dibromo-1-triphenylmethyl-1H-imidazole 98%

Database IDs

• CAS Number: 112517-23-4
• MDL Number: MFCD08056373
• PubChem SID: 162079398
• PubChem CID: 15920724

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.674998
• LogD (pH = 7.4): 6.678742
• Log P: 6.6787896
• Molar Refractivity: 114.8295 cm^3
• Polarizability: 43.20431 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 223-225°C

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 95+%