Cas no 72572-18-0 (6-Ethyl-1H-benzo[d]imidazole)

6-Ethyl-1H-benzo[d]imidazole is a heterocyclic organic compound featuring a benzimidazole core substituted with an ethyl group at the 6-position. This structure imparts versatility in synthetic applications, particularly in pharmaceuticals and agrochemicals, where it serves as a key intermediate. The ethyl substitution enhances lipophilicity, potentially improving bioavailability in drug design. Its stability under various reaction conditions makes it suitable for further functionalization, such as N-alkylation or metal-catalyzed cross-coupling. The compound’s rigid aromatic system also contributes to its utility in coordination chemistry, acting as a ligand for transition metals. High purity grades are available for research and industrial use, ensuring reproducibility in complex syntheses.
6-Ethyl-1H-benzo[d]imidazole structure
6-Ethyl-1H-benzo[d]imidazole structure
Product Name:6-Ethyl-1H-benzo[d]imidazole
CAS No:72572-18-0
MF:C9H10N2
MW:146.189101696014
CID:549797
PubChem ID:18949485
Update Time:2025-06-07

6-Ethyl-1H-benzo[d]imidazole Chemical and Physical Properties

Names and Identifiers

    • 6-Ethyl-1H-benzo[d]imidazole
    • 1H-Benzimidazole,5-ethyl- (9CI)
    • 6-ethyl-1H-Benzimidazole
    • AKOS017413541
    • 72572-18-0
    • 6-ethyl-1H-1,3-benzodiazole
    • SCHEMBL763175
    • Inchi： 1S/C9H10N2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h3-6H,2H2,1H3,(H,10,11)
    • InChI Key： LKXXWIRKYZPMMS-UHFFFAOYSA-N
    • SMILES： N1C=NC2=CC=C(C=C12)CC

Computed Properties

  • Exact Mass: 146.0845
  • Monoisotopic Mass: 146.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 136
  • 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: 2.1
  • Topological Polar Surface Area: 28.7A^2

Experimental Properties

  • PSA: 28.68

6-Ethyl-1H-benzo[d]imidazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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Alichem
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