1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide

C6H10N2 — CID 11466288

IUPAC1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide
SMILESCCn1[c-][n+](C)cc1
InChIInChI=1S/C6H10N2/c1-3-8-5-4-7(2)6-8/h4-5H,3H2,1-2H3
InChIKeyUKZMFWOFMCLJOP-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.13
Rot. Bonds1

About 1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide

1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide (PubChem CID 11466288) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide
PubChem CID11466288
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide
SMILESCCn1[c-][n+](C)cc1
InChIInChI=1S/C6H10N2/c1-3-8-5-4-7(2)6-8/h4-5H,3H2,1-2H3
InChIKeyUKZMFWOFMCLJOP-UHFFFAOYSA-N
XLogP0.13
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide 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-3-methyl-2H-imidazol-3-ium-2-ide?
The IUPAC name of 1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide (CID 11466288) is 1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide.
What is the SMILES notation for 1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide?
The canonical SMILES for 1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide is CCn1[c-][n+](C)cc1.
What is the InChIKey of 1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide?
The InChIKey is UKZMFWOFMCLJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-8-5-4-7(2)6-8/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide?
1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide has a molecular weight of 110.16 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-imidazol-3-ium-2-ide is sourced from PubChem (CID 11466288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).