2,4,5-Tribromo-1-methyl-1H-imidazole
Names and Identifiers of 2,4,5-Tribromo-1-methyl-1H-imidazole
CAS Number |
1003-91-4 |
|---|---|
MDL Number |
MFCD00955564 |
IUPAC Name |
2,4,5-tribromo-1-methylimidazole |
InChI |
InChI=1S/C4H3Br3N2/c1-9-3(6)2(5)8-4(9)7/h1H3 |
InChIKey |
KAMDVXMJRMNDCQ-UHFFFAOYSA-N |
Canonical SMILES |
CN1C(=C(N=C1Br)Br)Br |
UNSPSC Code |
12352100 |
Physical and chemical properties of 2,4,5-Tribromo-1-methyl-1H-imidazole
Acidity coefficient |
-0.81±0.60(Predicted) |
|---|---|
Boiling Point |
364.9±45.0 °C at 760 mmHg |
Density |
2.6±0.1 g/cm3 |
Exact Mass |
315.784607 |
Flash Point |
174.5±28.7 °C |
Index of Refraction |
1.727 |
LogP |
2.63 |
Melting Point |
84-86ºC |
Molecular Formula |
C4H3Br3N2 |
Molecular Weight |
318.792 |
PSA |
17.82000 |
Storage condition |
under inert gas (nitrogen or Argon) at 2–8 °C |
Vapour Pressure |
0.0±0.8 mmHg at 25°C |
Safety Information of 2,4,5-Tribromo-1-methyl-1H-imidazole
Applications of 2,4,5-Tribromo-1-methyl-1H-imidazole
2,4,5-Tribromo-1-methyl-1H-imidazole finds applications across various fields:
- Pharmaceuticals: Due to its biological activity against specific enzymes and pathogens, it is explored for drug development.
- Agricultural Chemistry: Its antimicrobial properties suggest potential use as a pesticide or fungicide.
- Material Science: The compound may be used in synthesizing new materials with unique properties due to its halogenation.
Interaction Studies of 2,4,5-Tribromo-1-methyl-1H-imidazole
Studies on the interactions of 2,4,5-tribromo-1-methyl-1H-imidazole with biological systems have revealed its role as an enzyme inhibitor. It has been shown to affect the metabolism of drugs by inhibiting cytochrome P450 enzymes. Additionally, interaction studies with various metal ions have demonstrated its ability to form stable complexes, which could be beneficial for catalytic applications.
Biological Activity of 2,4,5-Tribromo-1-methyl-1H-imidazole
Research indicates that 2,4,5-tribromo-1-methyl-1H-imidazole exhibits significant biological activity. It has been identified as an inhibitor of certain cytochrome P450 enzymes, particularly CYP1A2. This inhibition suggests potential applications in pharmacology for modulating drug metabolism. Additionally, studies have indicated antimicrobial properties against various pathogens, making it a candidate for further investigation in medicinal chemistry.
Physical sample testing spectrum (NMR) of 2,4,5-Tribromo-1-methyl-1H-imidazole
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