4-(bromomethyl)-1-(triphenylmethyl)-1H-imidazole

• ChemBase ID: 797171
• Molecular Formular: C23H19BrN2
• Molecular Mass: 403.31436
• Monoisotopic Mass: 402.07316062
• SMILES: n1(cnc(c1)CBr)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: BrCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H19BrN2/c24-16-22-17-26(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/h1-15,17-18H,16H2
• InChIKey: VVCLKPGOGFZAHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(bromomethyl)-1-(triphenylmethyl)-1H-imidazole
• IUPAC Traditional name: 4-(bromomethyl)-1-(triphenylmethyl)imidazole
• Synonyms: 4-(BroMoMethyl)-1-trityl-1H-iMidazole

Database IDs

• CAS Number: 562074-49-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.576845
• LogD (pH = 7.4): 6.074183
• Log P: 6.0896163
• Molar Refractivity: 111.2879 cm^3
• Polarizability: 42.05729 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%