4-bromo-2,5-dimethyl-1H-imidazole

• ChemBase ID: 308781
• Molecular Formular: C5H7BrN2
• Molecular Mass: 175.02648
• Monoisotopic Mass: 173.97926023
• SMILES: n1c(c([nH]c1C)C)Br
• Canonical SMILES: Cc1[nH]c(c(n1)Br)C
• InChI: InChI=1S/C5H7BrN2/c1-3-5(6)8-4(2)7-3/h1-2H3,(H,7,8)
• InChIKey: VGFNRJCHIWPIPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,5-dimethyl-1H-imidazole
• IUPAC Traditional name: 4-bromo-2,5-dimethyl-1H-imidazole
• Synonyms: 4-bromo-2,5-dimethyl-1H-imidazole

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.56884354
• LogD (pH = 7.4): 1.1352712
• Log P: 1.1516765
• Molar Refractivity: 37.0682 cm^3
• Polarizability: 13.648967 Å^3
• Polar Surface Area: 28.68 Å^2