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Benzimidazolium derivative

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Identification
Molecular formula
C24H30N3S
CAS number
882242-91-7
IUPAC name
N,N-diethyl-2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethanamine
State
State

At room temperature, it exists in a solid state. The compound is typically handled as a solid material for practical applications and research.

Melting point (Celsius)
185.00
Melting point (Kelvin)
458.15
Boiling point (Celsius)
480.00
Boiling point (Kelvin)
753.15
General information
Molecular weight
411.61g/mol
Molar mass
411.6130g/mol
Density
1.1500g/cm3
Appearence

The compound is typically a crystalline solid. It may appear as off-white to pale yellow in color, although small variations in appearance could occur based on purity and specific synthesized forms.

Comment on solubility

Solubility of N,N-diethyl-2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethanamine

The solubility of N,N-diethyl-2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethanamine can be influenced by a variety of factors, including temperature, pH, and the presence of other solutes. This compound, due to its complex structure, showcases intriguing solubility characteristics:

  • Solvent Dependence: It is likely to be more soluble in organic solvents such as ethanol and dimethyl sulfoxide (DMSO), compared to polar solvents like water.
  • Ionic Strength: Since this compound carries a quaternary ammonium group, its solubility may increase in solutions with higher ionic strength, enhancing the stability of the cationic form.
  • Temperature Effects: It is expected that with an increase in temperature, the solubility may also increase due to enhanced molecular motion and solvent interactions.
  • pH Sensitivity: The solubility might vary significantly with changes in pH; basic conditions could potentially increase the solubility of the ionic species.

In practical applications, understanding the solubility profile of this compound is crucial, as it can directly affect its bioavailability and efficacy. In summary, while it appears to have limited water solubility, its behavior in organic solvents and under various chemical conditions underscores the need for careful consideration during experimental use.

Interesting facts

Interesting Facts about N,N-Diethyl-2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethanamine

N,N-Diethyl-2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethanamine is a fascinating compound that showcases the intricate interplay of organic chemistry and medicinal applications. Its unique structure comprises a benzimidazole core – a significant framework in various pharmacological agents and designed to interact with biological systems in precise ways.

Key Features:

  • Biological Relevance: Compounds like this benzimidazolium derivative have been researched for potential antiviral and anticancer properties, making them crucial in drug discovery.
  • Sulfanyl Group: The presence of a sulfanyl (-SH) group can enhance the compound's reactivity and may contribute to its biological activity, a common trait among organosulfur compounds.
  • Substituent Diversity: Featuring a 4-propylphenyl group highlights the importance of substituents in modulating a compound's physical and chemical properties, affecting everything from solubility to biological interaction.
  • Ethyl Groups: The two ethyl groups attached to the nitrogen play a vital role in increasing lipophilicity, aiding the compound in crossing cell membranes and fulfilling its target function efficiently.

Moreover, structural modifications to compounds like this are often explored to optimize their efficacy and selectivity as therapeutic agents. As one prominent researcher once stated, "The beauty of organic synthesis lies in the endless possibilities to modify and enhance activity." This compound exemplifies those possibilities in action.

In summary, N,N-diethyl-2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethanamine serves as an excellent model for studying the integration of organic synthesis and medicinal chemistry, opening avenues for future research and innovation.