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1H-Benzo[d]imidazole-6-carbonitrile

  • CAS No. 6287-83-8

  • Cat. No. CS-D0893
  • Purity≥97%
  • MDL No.MFCD06809988

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

1H-Benzo[d]imidazole-6-carbonitrile|CS-D0893

Structure of 6287-83-8

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General Information

  • CAS No. 6287-83-8
  • Cat. No. CS-D0893
  • Purity ≥97%
  • MDL No. MFCD06809988
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅N₃
  • Molecular Weight None
  • Synonym(s) 1H-Benzimidazole-5-carbonitrile
  • SMILES N#CC1=CC=C(N=CN2)C2=C1

Description

1H-Benzo[d]imidazole-6-carbonitrile features a fused bicyclic core with a nitrile group at the 6-position, conferring high electron deficiency and enhanced metabolic stability. This scaffold integrates readily into bioactive molecules, serving as a key pharmacophore in kinase inhibitors and fluorescent probes. The nitrile moiety enables versatile coupling reactions under mild conditions, facilitating rapid library synthesis.

Application

1H-Benzo[d]imidazole-6-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to heterocyclic scaffolds through nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its nitrile functionality offers high bench stability and compatibility with diverse reaction conditions, facilitating downstream derivatization for drug discovery applications.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P311-P312-P330-P361-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.47
  • LogP   1.43458
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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