3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium

C6H11N2+ — CID 90922328

IUPAC3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium
SMILESCCN1[C+]=CN(C)C1
InChIInChI=1S/C6H11N2/c1-3-8-5-4-7(2)6-8/h4H,3,6H2,1-2H3/q+1
InChIKeyCZKNBPQLXQFPTO-UHFFFAOYSA-N
MW111.17 g/mol
LogP0.49
Rot. Bonds1

About 3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium

3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium (PubChem CID 90922328) has the molecular formula C6H11N2+ and a molecular weight of 111.17 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium.

Molecular Properties

Compound Name3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium
PubChem CID90922328
Molecular FormulaC6H11N2+
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Name3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium
SMILESCCN1[C+]=CN(C)C1
InChIInChI=1S/C6H11N2/c1-3-8-5-4-7(2)6-8/h4H,3,6H2,1-2H3/q+1
InChIKeyCZKNBPQLXQFPTO-UHFFFAOYSA-N
XLogP0.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium 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 3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium?
The IUPAC name of 3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium (CID 90922328) is 3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium.
What is the SMILES notation for 3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium?
The canonical SMILES for 3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium is CCN1[C+]=CN(C)C1.
What is the InChIKey of 3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium?
The InChIKey is CZKNBPQLXQFPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2/c1-3-8-5-4-7(2)6-8/h4H,3,6H2,1-2H3/q+1.
What are the key properties of 3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium?
3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium has a molecular weight of 111.17 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2,4-dihydroimidazol-4-ylium is sourced from PubChem (CID 90922328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).