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6-Iodo-2-(trifluoromethyl)-1H-benzimidazole

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Identification
Molecular formula
C8H4F3IN2
CAS number
226912-26-9
IUPAC name
6-iodo-2-(trifluoromethyl)-1H-benzimidazole
State
State

At room temperature, 6-iodo-2-(trifluoromethyl)-1H-benzimidazole is typically in a solid state.

Melting point (Celsius)
130.00
Melting point (Kelvin)
403.15
Boiling point (Celsius)
337.00
Boiling point (Kelvin)
610.15
General information
Molecular weight
340.02g/mol
Molar mass
340.0240g/mol
Density
2.0500g/cm3
Appearence

6-Iodo-2-(trifluoromethyl)-1H-benzimidazole appears as an off-white to pale yellow solid. It can be crystalline in form.

Comment on solubility

Solubility of 6-iodo-2-(trifluoromethyl)-1H-benzimidazole

The solubility of 6-iodo-2-(trifluoromethyl)-1H-benzimidazole can be quite variable, influenced by its structural characteristics. This compound contains a trifluoromethyl group, which is known for its hydrophobic nature, potentially limiting solubility in polar solvents. Here are some key points regarding its solubility:

  • Hydrophobic Interaction: The presence of halogens, particularly iodine and fluorine, contributes to the compound's overall hydrophobic nature.
  • Solvent choice: It may exhibit better solubility in organic solvents such as dimethyl sulfoxide (DMSO) or dimethylformamide (DMF), which can interact favorably with non-polar regions.
  • Potential with polar solvents: Limited solubility in water is expected due to the trifluoromethyl and iodine substituents that increase steric hindrance and reduce hydrogen bonding capabilities.
  • Concentration Effects: As with many organic compounds, solubility may increase at higher temperatures or when concentrated solutions are prepared.

In summary, while 6-iodo-2-(trifluoromethyl)-1H-benzimidazole demonstrates intriguing characteristics due to its unique functional groups, its solubility profiles are primarily dictated by the balance between its hydrophobic and polar interactions. As always, the solubility must be evaluated in the context of specific experimental conditions.

Interesting facts

Interesting Facts about 6-Iodo-2-(Trifluoromethyl)-1H-benzimidazole

6-Iodo-2-(trifluoromethyl)-1H-benzimidazole is a fascinating compound, particularly due to its structure and potential applications in various fields.

1. Unique Structural Features

  • Iodine Substitution: The presence of iodine at the 6-position enhances the compound's reactivity and makes it particularly useful in organic synthesis.
  • Trifluoromethyl Group: The trifluoromethyl group (-CF3) is known to influence the electronic properties of molecules, often improving their stability and lipophilicity.
  • Benzimidazole Backbone: The benzimidazole moiety is a well-known pharmacophore, playing a crucial role in various biological activities.

2. Applications in Pharmaceuticals

This compound has gained attention in medicinal chemistry due to its potential applications, including:

  • Antimicrobial Activity: Similar benzimidazole derivatives can exhibit significant antimicrobial properties, paving the way for the development of new antibiotics.
  • Anti-cancer Agents: Compounds with a benzimidazole structure have shown promise in targeting cancer cells and inhibiting tumor growth.
  • Inhibitors of Specific Enzymes: Such compounds can be designed to inhibit enzymes, such as kinases, that play critical roles in cell signaling.

3. Synthetic Versatility

The synthesis of 6-iodo-2-(trifluoromethyl)-1H-benzimidazole presents various methodologies, making it a compelling subject for organic chemists. Methods may include:

  • Electrophilic Substitution Reactions: Leveraging the electrophilic nature of the iodine to introduce further functional groups.
  • Direct Fluorination: Employing modern fluorination techniques to synthesize trifluoromethyl-substituted compounds efficiently.

4. Theoretical Studies

Research involving the theoretical studies of this compound provides insights into its electronic structure and helps predict its reactivity patterns. Computational chemistry can offer a deeper understanding of:

  • Molecular Orbitals: Analyzing the arrangement of electrons in the molecule can help in comprehending its properties.
  • Reaction Mechanisms: Studying potential reaction pathways could facilitate the design of more effective synthetic routes.

In summary, 6-iodo-2-(trifluoromethyl)-1H-benzimidazole is a compound with a rich potential for exploration in both synthetic and medicinal chemistry, making it an exciting topic for further study and application.

Synonyms
3765-86-4
BENZIMIDAZOLE, 5-IODO-2-(TRIFLUOROMETHYL)-
5-Iodo-2-(trifluoromethyl)benzimidazole
DTXSID90191077
DTXCID00113568
5-Iodo-2-(trifluoromethyl)-1H-benzo[d]imidazole
6-iodo-2-(trifluoromethyl)-1H-benzimidazole
SCHEMBL11742667
VWPQFAPZLPFZDE-UHFFFAOYSA-N
1H-Benzimidazole,5-iodo-2-(trifluoromethyl)-