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CAS 114772-55-3

:

4'-{[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}biphenyl-2-carbonitrile

Description:
The chemical substance known as 4'-{[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}biphenyl-2-carbonitrile, with the CAS number 114772-55-3, is a complex organic compound characterized by its biphenyl structure and the presence of an imidazole ring. 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 carbonitrile functional group indicates the presence of a cyano group, which can influence the compound's reactivity and polarity. The overall structure suggests potential applications in pharmaceuticals or agrochemicals, particularly due to the imidazole moiety, which is often associated with biological activity. Additionally, the presence of multiple functional groups may allow for diverse interactions in biological systems, making it a candidate for further research in medicinal chemistry. Its solubility, stability, and reactivity would depend on the specific conditions and solvents used in experiments.
Formula:C22H22ClN3O
InChI:InChI=1S/C22H22ClN3O/c1-2-3-8-21-25-22(23)20(15-27)26(21)14-16-9-11-17(12-10-16)19-7-5-4-6-18(19)13-24/h4-7,9-12,27H,2-3,8,14-15H2,1H3
InChI key:InChIKey=FGCNIDUBRIVYBP-UHFFFAOYSA-N
SMILES:C(N1C(CCCC)=NC(Cl)=C1CO)C2=CC=C(C=C2)C3=C(C#N)C=CC=C3
Synonyms:
  • 2-Butyl-4-chloro-1-[(2′-cyanobiphenyl-4-yl)methyl]-5-hydroxymethylimidazole
  • 2-[4-[[2-Butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzonitrile
  • 4'-[(2-butyl-4-chloro-5-hydroxymethyl)-1H-imidazol-1-yl)methyl]-[1,1'-Biphenyl]-2-carbonitrile
  • 4′-(2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazol-1-yl)-1,1′-biphenyl-2-carbonitrile
  • [1,1′-Biphenyl]-2-carbonitrile, 4′-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]-
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