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CS-W001157 4
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5-(Trifluoromethyl)-1H-imidazole-2-carboxylic acid

  • CAS No. 915230-46-5

  • Cat. No. CS-0045083
  • Purity≥95%
  • MDL No.MFCD14583619

*For research and further manufacturing use only, not for direct human use.

5-(Trifluoromethyl)-1H-imidazole-2-carboxylic acid|CS-0045083

Structure of 915230-46-5

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General Information

  • CAS No. 915230-46-5
  • Cat. No. CS-0045083
  • Purity ≥95%
  • MDL No. MFCD14583619
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃F₃N₂O₂
  • Molecular Weight 180.08
  • Synonym(s) None
  • SMILES O=C(C1=NC=C(C(F)(F)F)N1)O

Description

5-(Trifluoromethyl)-1H-imidazole-2-carboxylic acid features a trifluoromethyl group that enhances electron-withdrawal and metabolic stability, while the carboxylic acid moiety enables direct conjugation or derivatization. This combination delivers a robust scaffold for medicinal chemistry applications, particularly in developing bioactive heterocycles with improved solubility and target engagement under physiological conditions.

Application

5-(Trifluoromethyl)-1H-imidazole-2-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling and derivatization reactions. Its trifluoromethyl group enhances metabolic stability and modulates lipophilicity, while the carboxylic acid functionality facilitates amide bond formation, salt generation, or conjugation. The compound exhibits good bench stability and is compatible with common synthetic protocols, making it a practical choice for API development and structure-activity studies.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501

Quality Control

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Computational Chemistry Data

  • TPSA   65.98
  • LogP   1.1267
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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