CAS 952959-43-2

1-(2,6-Diethylphenyl)-1H-imidazole-4-carboxylic acid

Description:

1-(2,6-Diethylphenyl)-1H-imidazole-4-carboxylic acid is a chemical compound characterized by its imidazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms. The presence of the 2,6-diethylphenyl group contributes to its hydrophobic characteristics, potentially influencing its solubility and interaction with biological systems. The carboxylic acid functional group (-COOH) imparts acidic properties, allowing the compound to participate in various chemical reactions, including esterification and neutralization. This compound may exhibit biological activity, making it of interest in pharmaceutical research, particularly in the development of drugs targeting specific pathways. Its molecular structure suggests potential for interactions with enzymes or receptors due to the presence of both hydrophobic and polar regions. Additionally, the compound's stability, reactivity, and potential applications can be influenced by factors such as pH, temperature, and solvent environment. Overall, 1-(2,6-Diethylphenyl)-1H-imidazole-4-carboxylic acid represents a versatile structure with potential implications in medicinal chemistry and material science.

Formula: C₁₄H₁₆N₂O₂

InChI: InChI=1S/C14H16N2O2/c1-3-10-6-5-7-11(4-2)13(10)16-8-12(14(17)18)15-9-16/h5-9H,3-4H2,1-2H3,(H,17,18)

InChI key: InChIKey=MFSBMCOEPVWHDG-UHFFFAOYSA-N

SMILES: C(C)C1=C(C(CC)=CC=C1)N2C=C(C(O)=O)N=C2

Synonyms:

• 1H-Imidazole-4-carboxylic acid, 1-(2,6-diethylphenyl)-
• 1-(2,6-Diethylphenyl)-1H-imidazole-4-carboxylic acid