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CAS 797032-02-1

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4-[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]butyl 2,2-dimethylpropanoate

Description:
4-[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]butyl 2,2-dimethylpropanoate is a chemical compound characterized by its complex structure, which includes a benzimidazole moiety and an ester functional group. The presence of the hydroxymethyl group contributes to its potential solubility in polar solvents, while the butyl chain and the 2,2-dimethylpropanoate portion enhance its hydrophobic characteristics. This compound may exhibit biological activity due to the benzimidazole ring, which is known for its presence in various pharmaceuticals and agrochemicals. Its molecular structure suggests potential applications in medicinal chemistry, possibly as a drug candidate or a biochemical probe. Additionally, the compound's stability and reactivity can be influenced by the ester linkage, which may undergo hydrolysis under certain conditions. Overall, this substance represents a unique combination of functional groups that could be explored for various chemical and biological applications.
Formula:C17H24N2O3
InChI:InChI=1S/C17H24N2O3/c1-17(2,3)16(21)22-11-7-6-10-19-14-9-5-4-8-13(14)18-15(19)12-20/h4-5,8-9,20H,6-7,10-12H2,1-3H3
InChI key:InChIKey=NOVYRSPAAGNFDB-UHFFFAOYSA-N
SMILES:C(CCCOC(C(C)(C)C)=O)N1C=2C(N=C1CO)=CC=CC2
Synonyms:
  • Propanoic acid, 2,2-dimethyl-, 4-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]butyl ester
  • 4-[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]butyl 2,2-dimethylpropanoate
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