Tetramethyl benzobis (imidazolium) | SBID = 128 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 25
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C12H16N4++
M / g/mol: 216.29
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, cation, typical guest, charged
  • Name: Tetramethyl benzobis (imidazolium)
  • Preferred Abbreviation: MBBI
  • IUPAC Name: 1,3,5,7-tetramethyl-3,7-dihydrobenzo[1,2-d:4,5-d']diimidazole-1,5-diium
  • CAS:
  • CID: -10
  • InChiKey: BLQCVWBSTNLUAH-UHFFFAOYSA-N
  • InChi: InChI=1S/C12H16N4/c1-13-7-14(2)10-6-12-11(5-9(10)13)15(3)8-16(12)4/h5-8H,1-4H3/q+2
  • CanoSmiles: C[N+]1=CN(C)C2=CC([N+](C)=CN3C)=C3C=C21
  • IsoSmiles: C[N+]1=CN(C)C2=CC([N+](C)=CN3C)=C3C=C21