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1-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)-1H-benzo[d]imidazole-6-carboxylic acid

CAS 2567984-73-8Formula C18H15F3N2O3MW 364.3PubChem 164940350

This compound is a complex organic molecule featuring a benzimidazole core, an ethyl group, a trifluoro-hydroxy-phenylethyl substituent, and a carboxylic acid group. Its structural characteristics suggest potential for research in medicinal chemistry or as a building block for more complex molecules.

Loading RDKit molecule structure...
InChIKey: HKJPXOMUTAYXSA-UHFFFAOYSA-NC18H15F3N2O3 | MW 364.3

Chemical Identity

Molecular Formula

C18H15F3N2O3

Molecular Weight

364.3 g/mol

Exact Mass

364.103477

PubChem CID

164940350

IUPAC Name

3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxylic acid

SMILES String

CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)O)cc21

External Identifiers
SCHEMBL29917811

Catalog Overview

1-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)-1H-benzo[d]imidazole-6-carboxylic acid, identified by CAS 2567984-73-8, is an organic compound with the molecular formula C18H15F3N2O3 and a molecular weight of 364.30. It incorporates a benzimidazole heterocyclic system, an ethyl substituent, a trifluoromethyl group, a hydroxyl group, and a phenyl ring within its structure, along with a carboxylic acid functionality. This intricate architecture places it within the 'druglike_bioactive_like' structural bucket, indicating its relevance for synthetic organic chemistry and potential exploration in drug discovery research.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
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Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

175.0 °C

Boiling Point

450.0 °C

Density

1.4 g/cm³

Water Solubility

Sparingly soluble

Flash Point

280.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials.

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