1-ethyl-3-iodoimidazolidine

C5H11IN2 — CID 90298671

IUPAC1-ethyl-3-iodoimidazolidine
SMILESCCN1CCN(I)C1
InChIInChI=1S/C5H11IN2/c1-2-7-3-4-8(6)5-7/h2-5H2,1H3
InChIKeyHLLCWQIWPHOTSP-UHFFFAOYSA-N
MW226.06 g/mol
LogP0.93
Rot. Bonds1

About 1-ethyl-3-iodoimidazolidine

1-ethyl-3-iodoimidazolidine (PubChem CID 90298671) has the molecular formula C5H11IN2 and a molecular weight of 226.06 g/mol. Its IUPAC name is 1-ethyl-3-iodoimidazolidine.

Molecular Properties

Compound Name1-ethyl-3-iodoimidazolidine
PubChem CID90298671
Molecular FormulaC5H11IN2
Molecular Weight226.06 g/mol
Exact Mass226.00
IUPAC Name1-ethyl-3-iodoimidazolidine
SMILESCCN1CCN(I)C1
InChIInChI=1S/C5H11IN2/c1-2-7-3-4-8(6)5-7/h2-5H2,1H3
InChIKeyHLLCWQIWPHOTSP-UHFFFAOYSA-N
XLogP0.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-iodoimidazolidine 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-iodoimidazolidine?
The IUPAC name of 1-ethyl-3-iodoimidazolidine (CID 90298671) is 1-ethyl-3-iodoimidazolidine.
What is the SMILES notation for 1-ethyl-3-iodoimidazolidine?
The canonical SMILES for 1-ethyl-3-iodoimidazolidine is CCN1CCN(I)C1.
What is the InChIKey of 1-ethyl-3-iodoimidazolidine?
The InChIKey is HLLCWQIWPHOTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IN2/c1-2-7-3-4-8(6)5-7/h2-5H2,1H3.
What are the key properties of 1-ethyl-3-iodoimidazolidine?
1-ethyl-3-iodoimidazolidine has a molecular weight of 226.06 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-iodoimidazolidine is sourced from PubChem (CID 90298671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).