Benzyl methyl imidazole | SBID = 2646 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2: 8.81
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 1.74
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C11H13N2+
M / g/mol: 173.23432
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: Benzyl methyl imidazole
  • Preferred Abbreviation: 3-benzyl-1-methyl-1H-imidazol-3-ium
  • IUPAC Name:
  • CAS:
  • CID: -1184
  • InChiKey: COSSPXYCRNRXRX-UHFFFAOYSA-N
  • InChi: InChI=1S/C11H13N2/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3/q+1
  • CanoSmiles: Cn1cc[n+](c1)Cc1ccccc1
  • IsoSmiles: CN1C=C[N+](CC2=CC=CC=C2)=C1