1-ethyl-1-methylimidazol-1-ium

C6H11N2+ — CID 14324719

IUPAC1-ethyl-1-methylimidazol-1-ium
SMILESCC[N+]1(C)C=CN=C1
InChIInChI=1S/C6H11N2/c1-3-8(2)5-4-7-6-8/h4-6H,3H2,1-2H3/q+1
InChIKeyQHUSJFSDCCUVGA-UHFFFAOYSA-N
MW111.17 g/mol
LogP0.97
Rot. Bonds1

About 1-ethyl-1-methylimidazol-1-ium

1-ethyl-1-methylimidazol-1-ium (PubChem CID 14324719) has the molecular formula C6H11N2+ and a molecular weight of 111.17 g/mol. Its IUPAC name is 1-ethyl-1-methylimidazol-1-ium.

Molecular Properties

Compound Name1-ethyl-1-methylimidazol-1-ium
PubChem CID14324719
Molecular FormulaC6H11N2+
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Name1-ethyl-1-methylimidazol-1-ium
SMILESCC[N+]1(C)C=CN=C1
InChIInChI=1S/C6H11N2/c1-3-8(2)5-4-7-6-8/h4-6H,3H2,1-2H3/q+1
InChIKeyQHUSJFSDCCUVGA-UHFFFAOYSA-N
XLogP0.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-ethyl-1-methylimidazol-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methylimidazol-1-ium?
The IUPAC name of 1-ethyl-1-methylimidazol-1-ium (CID 14324719) is 1-ethyl-1-methylimidazol-1-ium.
What is the SMILES notation for 1-ethyl-1-methylimidazol-1-ium?
The canonical SMILES for 1-ethyl-1-methylimidazol-1-ium is CC[N+]1(C)C=CN=C1.
What is the InChIKey of 1-ethyl-1-methylimidazol-1-ium?
The InChIKey is QHUSJFSDCCUVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2/c1-3-8(2)5-4-7-6-8/h4-6H,3H2,1-2H3/q+1.
What are the key properties of 1-ethyl-1-methylimidazol-1-ium?
1-ethyl-1-methylimidazol-1-ium has a molecular weight of 111.17 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methylimidazol-1-ium is sourced from PubChem (CID 14324719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).