CAS 115664-39-6: 3-(1H-Imidazol-5-ylmethyl)-2-methylbenzoic acid

Description: 3-(1H-Imidazol-5-ylmethyl)-2-methylbenzoic acid, with the CAS number 115664-39-6, is a chemical compound characterized by its unique structure that combines an imidazole ring with a benzoic acid moiety. This compound features a methyl group at the 2-position of the benzoic acid and an imidazole group attached via a methylene bridge at the 3-position. The presence of the imidazole ring suggests potential biological activity, as imidazole derivatives are often found in pharmaceuticals and biologically active compounds. The carboxylic acid functional group contributes to its acidity and solubility in polar solvents, while the aromatic system may provide stability and facilitate interactions with other molecules. This compound may exhibit properties such as antimicrobial or antifungal activity, making it of interest in medicinal chemistry. Its synthesis and characterization would typically involve standard organic chemistry techniques, and it may serve as a building block for more complex chemical entities in research and development.

Formula: C₁₂H₁₂N₂O₂

InChI: InChI=1S/C12H12N2O2/c1-8-9(5-10-6-13-7-14-10)3-2-4-11(8)12(15)16/h2-4,6-7H,5H2,1H3,(H,13,14)(H,15,16)

InChI key: InChIKey=UYLYCKVCJPJDEL-UHFFFAOYSA-N

SMILES: O=C(O)C1=CC=CC(=C1C)CC2=CN=CN2

Synonyms:

• 3-(1H-imidazol-5-ylmethyl)-2-methylbenzoic acid
• 3-[(1H-Imidazol-4-yl)methyl]-2-methylbenzoic acid
• Benzoic acid, 3-(1H-imidazol-4-ylmethyl)-2-methyl-
• Benzoic acid, 3-(1H-imidazol-5-ylmethyl)-2-methyl-
• Detomidine 3-Carboxylic Acid

Benzoic acid, 3-(1H-imidazol-5-ylmethyl)-2-methyl-

CAS: 115664-39-6

• Formula: C₁₂H₁₂N₂O₂
• Color and Shape: Solid
• Molecular weight: 216.2359

Detomidine carboxylic acid

CAS: 115664-39-6

Detomidine carboxylic acid, a urine metabolite of detomidine, is a synthetic α2-agonist, animal analgesic, with …

• Formula: C₁₂H₁₂N₂O₂
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 216.24

3-Carboxy Detomidine

CAS: 115664-39-6

Applications The major metabolite of the drug Detomidine. References Salonen, J.S., et al.: Eur. J. …

• Formula: C₁₂H₁₂N₂O₂
• Color and Shape: Neat
• Molecular weight: 216.24

3-Carboxy detomidine

CAS: 115664-39-6

Detomidine is a narcotic analgesic that is used to relieve pain in animals. It has …

• Formula: C₁₂H₁₂N₂O₂
• Purity: Min. 95%
• Molecular weight: 216.24 g/mol