Cas no 39778-14-8 (3-Methyl-1-phenyl-1H-benzo[d]imidazol-3-ium iodide)

3-Methyl-1-phenyl-1H-benzo[d]imidazol-3-ium iodide is a quaternary ammonium salt featuring a benzimidazolium core structure. This compound is of interest in organic synthesis and materials science due to its cationic nature, which facilitates its use as an intermediate or catalyst in various reactions. The phenyl and methyl substituents enhance its stability and reactivity, making it suitable for applications in ionic liquids or as a precursor for N-heterocyclic carbene (NHC) ligands. Its iodide counterion provides good solubility in polar solvents, enabling versatile processing. The compound's well-defined structure and functional groups make it a valuable building block for advanced chemical research and development.
3-Methyl-1-phenyl-1H-benzo[d]imidazol-3-ium iodide structure
39778-14-8 structure
Product Name:3-Methyl-1-phenyl-1H-benzo[d]imidazol-3-ium iodide
CAS No:39778-14-8
MF:C14H13IN2
MW:336.170895338058
CID:1031099
PubChem ID:12276842
Update Time:2025-05-28

3-Methyl-1-phenyl-1H-benzo[d]imidazol-3-ium iodide Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-1-phenyl-1H-benzo[d]imidazol-3-ium iodide
    • 1-methyl-3-phenylbenzimidazol-1-ium,iodide
    • DTXSID40483717
    • SCHEMBL18037139
    • 3-methyl-1-phenyl-1H-1,3-benzodiazol-3-ium iodide
    • 39778-14-8
    • SCHEMBL17024435
    • 1-methyl-3-phenylbenzimidazol-1-ium;iodide
    • 1-methyl-3-phenylbenzimidazolium iodide
    • Inchi： 1S/C14H13N2.HI/c1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;/h2-11H,1H3;1H/q+1;/p-1
    • InChI Key： DBVSIGHTXFBSKT-UHFFFAOYSA-M
    • SMILES： [I-].N1(C2C=CC=CC=2)C=[N+](C)C2C=CC=CC1=2

Computed Properties

  • Exact Mass: 322.9102
  • Monoisotopic Mass: 336.01235g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 235
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 8.8?2

Experimental Properties

  • PSA: 9.14

3-Methyl-1-phenyl-1H-benzo[d]imidazol-3-ium iodide Pricemore >>

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