4-Hydroxy-N,N,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-1H-benzimidazole-6-carboxamide
[CAS# 942195-86-0]

Identification

• Classification: Organic raw materials >> Heterocyclic compound >> Imidazoles
• Name: 4-Hydroxy-N,N,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-1H-benzimidazole-6-carboxamide
• Synonyms: 7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
• Molecular Formula: C₁₈H₁₉N₃O₄S
• Molecular Weight: 373.43
• CAS Registry Number: 942195-86-0
• SMILES: Cc1ccc(cc1)S(=O)(=O)n2c(nc3c2cc(cc3O)C(=O)N(C)C)C

Properties

• Density: 1.4±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.645, Calc.^*
• Boiling Point: 654.0±65.0 ºC (760 mmHg), Calc.^*
• Flash Point: 349.3±34.3 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H315-H319
• Precautionary Statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Discovory and Applicatios

4-Hydroxy-N,N,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-1H-benzimidazole-6-carboxamide, a complex and notable chemical compound, has become an area of interest due to its unique structural attributes and diverse applications. This compound is a member of the benzimidazole family, distinguished by its sulfonyl and carboxamide groups, along with a hydroxy and trimethyl substitution. The discovery and applications of this compound reflect its significance in various chemical and pharmaceutical contexts.

The discovery of 4-Hydroxy-N,N,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-1H-benzimidazole-6-carboxamide is rooted in the exploration of benzimidazole derivatives, which are known for their broad range of biological activities. Benzimidazole compounds have long been studied for their potential therapeutic properties, including anti-inflammatory, antimicrobial, and anticancer effects. The specific modifications in this compound, such as the sulfonyl and carboxamide groups, enhance its chemical reactivity and biological activity, making it a valuable subject of study.

One of the primary applications of 4-Hydroxy-N,N,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-1H-benzimidazole-6-carboxamide is in pharmaceutical research. The compound's structural features are indicative of its potential as a lead compound for drug development. The presence of the sulfonyl group is particularly noteworthy as it can influence the compound's interaction with biological targets, such as enzymes and receptors. This interaction profile positions the compound as a candidate for developing new therapeutics, including those aimed at treating cancer and inflammatory diseases.

In addition to its pharmaceutical applications, this compound has potential uses in chemical research and materials science. The unique combination of functional groups provides opportunities for exploring new chemical reactions and synthesizing novel materials. For example, the carboxamide group can participate in various reactions, including the formation of amide bonds, which are crucial in creating complex molecular architectures. Such applications are valuable in developing advanced materials with specific properties for industrial and research purposes.

The compound also contributes to the study of structure-activity relationships (SAR) in medicinal chemistry. By analyzing how different substituents affect the biological activity of benzimidazole derivatives, researchers can optimize the design of new compounds with improved efficacy and selectivity. This process is essential for developing targeted therapies and understanding the underlying mechanisms of drug action.

In summary, 4-Hydroxy-N,N,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-1H-benzimidazole-6-carboxamide is a noteworthy compound with significant implications in pharmaceutical and chemical research. Its unique structural characteristics make it a valuable tool for drug discovery and materials science, highlighting its importance in advancing both scientific knowledge and practical applications.