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CS-W001157 4
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2-Methyl-1H-benzo[d]imidazole-5-carboxylic acid

  • CAS No. 709-19-3

  • Cat. No. CS-0044659
  • Purity≥95%
  • MDL No.None

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

2-Methyl-1H-benzo[d]imidazole-5-carboxylic acid|CS-0044659

Structure of 709-19-3

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General Information

  • CAS No. 709-19-3
  • Cat. No. CS-0044659
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) 2-Methylbenzimidazole-5-carboxylic acid
  • SMILES O=C(C1=CC=C2N=C(C)NC2=C1)O

Description

2-Methyl-1H-benzo[d]imidazole-5-carboxylic acid features a fused heterocyclic core with a carboxylic acid at the 5-position and a methyl group at the 2-position, offering enhanced solubility and metabolic stability. This scaffold integrates readily into bioactive molecules, serving as a key building block for pharmaceuticals and agrochemicals.

Application

2-Methyl-1H-benzo[d]imidazole-5-carboxylic acid serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to bioactive scaffolds. Its carboxylic acid functionality facilitates direct amidation, esterification, and coupling reactions, while the methyl group enhances metabolic stability. The benzoimidazole core provides robust structural rigidity and π-stacking potential, supporting interactions with biological targets. This compound exhibits excellent bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis workflows in API development.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   65.98
  • LogP   1.56952
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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