CAS 114798-27-5

4′-[[2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl][1,1′-biphenyl]-2-carboxylic acid

Description:

The chemical substance known as 4′-[[2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl][1,1′-biphenyl]-2-carboxylic acid, with the CAS number 114798-27-5, is a complex organic compound characterized by its imidazole and biphenyl moieties. This compound features a butyl group and a chloro substituent, which contribute to its hydrophobic properties, while the hydroxymethyl group enhances its potential for hydrogen bonding. The carboxylic acid functional group indicates acidic properties, allowing for potential interactions in biological systems or chemical reactions. Its structure suggests potential applications in pharmaceuticals or agrochemicals, particularly due to the presence of the imidazole ring, which is often associated with biological activity. The compound's solubility, stability, and reactivity would depend on the specific conditions, such as pH and solvent, making it important to consider these factors in practical applications. Overall, this substance exemplifies the complexity and versatility of organic compounds in various chemical contexts.

Formula: C₂₂H₂₃ClN₂O₃

InChI: InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)

InChI key: InChIKey=UUPNFNCKGJOLQE-UHFFFAOYSA-N

SMILES: C(N1C(CCCC)=NC(Cl)=C1CO)C2=CC=C(C=C2)C3=C(C(O)=O)C=CC=C3

Synonyms:

• 4′-[[2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl][1,1′-biphenyl]-2-carboxylic acid
• SC 48742
• EXP 7711
• [1,1′-Biphenyl]-2-carboxylic acid, 4′-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]-

[1,1'-Biphenyl]-2-carboxylic acid, 4'-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]-

CAS: 114798-27-5

Formula: C₂₂H₂₃ClN₂O₃

Molecular weight: 398.8826

Ref: IN-DA000F84