2-ethyl-4-methylimidazol-4-ylium

C6H9N2+ — CID 57321007

IUPAC2-ethyl-4-methylimidazol-4-ylium
SMILESCCC1=N[C+](C)C=N1
InChIInChI=1S/C6H9N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3/q+1
InChIKeyFPRZVJRXPJLWMC-UHFFFAOYSA-N
MW109.15 g/mol
LogP1.43
Rot. Bonds1

About 2-ethyl-4-methylimidazol-4-ylium

2-ethyl-4-methylimidazol-4-ylium (PubChem CID 57321007) has the molecular formula C6H9N2+ and a molecular weight of 109.15 g/mol. Its IUPAC name is 2-ethyl-4-methylimidazol-4-ylium.

Molecular Properties

Compound Name2-ethyl-4-methylimidazol-4-ylium
PubChem CID57321007
Molecular FormulaC6H9N2+
Molecular Weight109.15 g/mol
Exact Mass109.08
IUPAC Name2-ethyl-4-methylimidazol-4-ylium
SMILESCCC1=N[C+](C)C=N1
InChIInChI=1S/C6H9N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3/q+1
InChIKeyFPRZVJRXPJLWMC-UHFFFAOYSA-N
XLogP1.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 51.43
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-ethyl-4-methylimidazol-4-ylium?
The IUPAC name of 2-ethyl-4-methylimidazol-4-ylium (CID 57321007) is 2-ethyl-4-methylimidazol-4-ylium.
What is the SMILES notation for 2-ethyl-4-methylimidazol-4-ylium?
The canonical SMILES for 2-ethyl-4-methylimidazol-4-ylium is CCC1=N[C+](C)C=N1.
What is the InChIKey of 2-ethyl-4-methylimidazol-4-ylium?
The InChIKey is FPRZVJRXPJLWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3/q+1.
What are the key properties of 2-ethyl-4-methylimidazol-4-ylium?
2-ethyl-4-methylimidazol-4-ylium has a molecular weight of 109.15 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylimidazol-4-ylium is sourced from PubChem (CID 57321007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).