Cas no 16405-84-8 (2-(1-methylethyl)-6-nitro-1H-Benzimidazole)

2-(1-Methylethyl)-6-nitro-1H-benzimidazole is a nitro-substituted benzimidazole derivative characterized by its isopropyl functional group at the 2-position. This compound exhibits notable stability and reactivity, making it a valuable intermediate in organic synthesis, particularly for the development of heterocyclic compounds. Its nitro group enhances electrophilic properties, facilitating further functionalization, while the benzimidazole core contributes to its potential applications in medicinal chemistry and materials science. The structural features of this molecule suggest utility in coordination chemistry and as a precursor for agrochemical or pharmaceutical active ingredients. Its well-defined chemical properties allow for precise modifications, supporting research in targeted molecular design.
2-(1-methylethyl)-6-nitro-1H-Benzimidazole structure
16405-84-8 structure
Product Name:2-(1-methylethyl)-6-nitro-1H-Benzimidazole
CAS No:16405-84-8
MF:C10H11N3O2
MW:205.213241815567
CID:1107259
PubChem ID:683202
Update Time:2025-10-16

2-(1-methylethyl)-6-nitro-1H-Benzimidazole Chemical and Physical Properties

Names and Identifiers

    • 2-(1-methylethyl)-6-nitro-1H-Benzimidazole
    • Oprea1_673208
    • 2-Isopropyl-5-nitro-1H-benzo[d]imidazole
    • 16405-84-8
    • AKOS002677422
    • AKOS023170279
    • SCHEMBL271676
    • 2-ISOPROPYL-6-NITRO-1H-BENZOIMIDAZOLE
    • 2-isopropyl-5-nitrobenzimidazole
    • 1H-1,3-Benzimidazole, 2-(1-methylethyl)-6-nitro-
    • Inchi： 1S/C10H11N3O2/c1-6(2)10-11-8-4-3-7(13(14)15)5-9(8)12-10/h3-6H,1-2H3,(H,11,12)
    • InChI Key： HPTQXZVPWMFRBA-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC2=C(C=1)NC(C(C)C)=N2)=O

Computed Properties

  • Exact Mass: 205.085126602g/mol
  • Monoisotopic Mass: 205.085126602g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 252
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 74.5?2

2-(1-methylethyl)-6-nitro-1H-Benzimidazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM507483-1g
2-Isopropyl-5-nitro-1H-benzo[d]imidazole
 16405-84-8 97%
1g
 $381 2023-02-02

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