Cas no 40608-77-3 (2-(4-pyridinylmethyl)-1H-Benzimidazole)

2-(4-pyridinylmethyl)-1H-Benzimidazole structure
40608-77-3 structure
Product Name:2-(4-pyridinylmethyl)-1H-Benzimidazole
CAS No:40608-77-3
MF:C13H11N3
MW:209.246542215347
CID:925966
PubChem ID:262415
Update Time:2025-04-19

2-(4-pyridinylmethyl)-1H-Benzimidazole Chemical and Physical Properties

Names and Identifiers

    • 2-(4-pyridinylmethyl)-1H-Benzimidazole
    • 2-(pyridin-4-ylmethyl)-1H-benzimidazole
    • 2-(4-pyridylmethyl)-1H-benzimidazole
    • 2-(4-pyridylmethyl)benzimidazole
    • 2-pyridin-4-ylmethyl-1H-benzoimidazole
    • AC1L67FX
    • AC1Q4WTS
    • AR-1C9851
    • CTK4I3424
    • NCIOpen2_006103
    • NSC95894
    • SureCN9376689
    • NSC 95894
    • 40608-77-3
    • KUZZQNHNDBQAJO-UHFFFAOYSA-N
    • NSC-95894
    • SCHEMBL9376689
    • DTXSID60294342
    • CHEMBL3954980
    • Inchi: 1S/C13H11N3/c1-2-4-12-11(3-1)15-13(16-12)9-10-5-7-14-8-6-10/h1-8H,9H2,(H,15,16)
    • InChI Key: KUZZQNHNDBQAJO-UHFFFAOYSA-N
    • SMILES: N1C2C=CC=CC=2N=C1CC1C=CN=CC=1

Computed Properties

  • Exact Mass: 209.09543
  • Monoisotopic Mass: 209.095297364g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 225
  • 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: 2.2
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • PSA: 41.57
  • LogP: 2.54870
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