Cas no 251-75-2 (1H-Pyrrolo[1,2-a]imidazole)

1H-Pyrrolo[1,2-a]imidazole structure
1H-Pyrrolo[1,2-a]imidazole structure
Product Name:1H-Pyrrolo[1,2-a]imidazole
CAS No:251-75-2
MF:C6H6N2
MW:106.125240802765
CID:265487
PubChem ID:21876691
Update Time:2025-04-19

1H-Pyrrolo[1,2-a]imidazole Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[1,2-a]imidazole
    • 1,3a-Diazapentalene
    • DTXSID30619260
    • 251-75-2
    • AKOS006358350
    • SCHEMBL2349870
    • Inchi: 1S/C6H6N2/c1-2-6-7-3-5-8(6)4-1/h1-5,7H
    • InChI Key: YHZODXGIMHTEJV-UHFFFAOYSA-N
    • SMILES: N12C=CC=C1NC=C2

Computed Properties

  • Exact Mass: 106.05318
  • Monoisotopic Mass: 106.053098200g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 92.5
  • 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: 1.6
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.2
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