5-bromo-2-tert-butyl-1H-imidazole

• ChemBase ID: 309620
• Molecular Formular: C7H11BrN2
• Molecular Mass: 203.07964
• Monoisotopic Mass: 202.01056036
• SMILES: c1([nH]c(cn1)Br)C(C)(C)C
• Canonical SMILES: CC(c1ncc([nH]1)Br)(C)C
• InChI: InChI=1S/C7H11BrN2/c1-7(2,3)6-9-4-5(8)10-6/h4H,1-3H3,(H,9,10)
• InChIKey: MEAHFTSCWFTUCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-tert-butyl-1H-imidazole
• IUPAC Traditional name: 4-bromo-2-tert-butyl-3H-imidazole
• Synonyms: 5-bromo-2-tert-butyl-1H-imidazole

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6892889
• LogD (pH = 7.4): 2.228142
• Log P: 2.246485
• Molar Refractivity: 44.5607 cm^3
• Polarizability: 17.30979 Å^3
• Polar Surface Area: 28.68 Å^2