1-ethyl-3-methylimidazol-3-ium iodide

C6H11IN2 — CID 11075478

IUPAC1-ethyl-3-methylimidazol-3-ium iodide
SMILESCCn1cc[n+](C)c1.[I-]
InChIInChI=1S/C6H11N2.HI/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1
InChIKeyIKQCDTXBZKMPBB-UHFFFAOYSA-M
MW238.07 g/mol
LogP-2.66
Rot. Bonds1

About 1-ethyl-3-methylimidazol-3-ium iodide

1-ethyl-3-methylimidazol-3-ium iodide (PubChem CID 11075478) has the molecular formula C6H11IN2 and a molecular weight of 238.07 g/mol. Its IUPAC name is 1-ethyl-3-methylimidazol-3-ium iodide.

Molecular Properties

Compound Name1-ethyl-3-methylimidazol-3-ium iodide
PubChem CID11075478
Molecular FormulaC6H11IN2
Molecular Weight238.07 g/mol
Exact Mass238.00
IUPAC Name1-ethyl-3-methylimidazol-3-ium iodide
SMILESCCn1cc[n+](C)c1.[I-]
InChIInChI=1S/C6H11N2.HI/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1
InChIKeyIKQCDTXBZKMPBB-UHFFFAOYSA-M
XLogP-2.66
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 5-2.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-methylimidazol-3-ium iodide 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-methylimidazol-3-ium iodide?
The IUPAC name of 1-ethyl-3-methylimidazol-3-ium iodide (CID 11075478) is 1-ethyl-3-methylimidazol-3-ium iodide.
What is the SMILES notation for 1-ethyl-3-methylimidazol-3-ium iodide?
The canonical SMILES for 1-ethyl-3-methylimidazol-3-ium iodide is CCn1cc[n+](C)c1.[I-].
What is the InChIKey of 1-ethyl-3-methylimidazol-3-ium iodide?
The InChIKey is IKQCDTXBZKMPBB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11N2.HI/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-ethyl-3-methylimidazol-3-ium iodide?
1-ethyl-3-methylimidazol-3-ium iodide has a molecular weight of 238.07 g/mol, XLogP of -2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylimidazol-3-ium iodide is sourced from PubChem (CID 11075478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).