2,4-dimethylimidazol-4-ylium

C5H7N2+ — CID 57023094

IUPAC2,4-dimethylimidazol-4-ylium
SMILESCC1=N[C+](C)C=N1
InChIInChI=1S/C5H7N2/c1-4-3-6-5(2)7-4/h3H,1-2H3/q+1
InChIKeyPUGUHHRETZXPHT-UHFFFAOYSA-N
MW95.12 g/mol
LogP1.04
Rot. Bonds

About 2,4-dimethylimidazol-4-ylium

2,4-dimethylimidazol-4-ylium (PubChem CID 57023094) has the molecular formula C5H7N2+ and a molecular weight of 95.12 g/mol. Its IUPAC name is 2,4-dimethylimidazol-4-ylium.

Molecular Properties

Compound Name2,4-dimethylimidazol-4-ylium
PubChem CID57023094
Molecular FormulaC5H7N2+
Molecular Weight95.12 g/mol
Exact Mass95.06
IUPAC Name2,4-dimethylimidazol-4-ylium
SMILESCC1=N[C+](C)C=N1
InChIInChI=1S/C5H7N2/c1-4-3-6-5(2)7-4/h3H,1-2H3/q+1
InChIKeyPUGUHHRETZXPHT-UHFFFAOYSA-N
XLogP1.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.12
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylimidazol-4-ylium?
The IUPAC name of 2,4-dimethylimidazol-4-ylium (CID 57023094) is 2,4-dimethylimidazol-4-ylium.
What is the SMILES notation for 2,4-dimethylimidazol-4-ylium?
The canonical SMILES for 2,4-dimethylimidazol-4-ylium is CC1=N[C+](C)C=N1.
What is the InChIKey of 2,4-dimethylimidazol-4-ylium?
The InChIKey is PUGUHHRETZXPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2/c1-4-3-6-5(2)7-4/h3H,1-2H3/q+1.
What are the key properties of 2,4-dimethylimidazol-4-ylium?
2,4-dimethylimidazol-4-ylium has a molecular weight of 95.12 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylimidazol-4-ylium is sourced from PubChem (CID 57023094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).