2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione

C5H3Cl5N2O3 — CID 20566672

IUPAC2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione
SMILESO=C1NC(O)(C(Cl)(Cl)C(Cl)(Cl)Cl)NC1=O
InChIInChI=1S/C5H3Cl5N2O3/c6-3(7,4(8,9)10)5(15)11-1(13)2(14)12-5/h15H,(H,11,13)(H,12,14)
InChIKeyLCDZXFPNNSDTKF-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.42
Rot. Bonds1

About 2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione

2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione (PubChem CID 20566672) has the molecular formula C5H3Cl5N2O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione.

Molecular Properties

Compound Name2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione
PubChem CID20566672
Molecular FormulaC5H3Cl5N2O3
Molecular Weight316.36 g/mol
Exact Mass313.86
IUPAC Name2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione
SMILESO=C1NC(O)(C(Cl)(Cl)C(Cl)(Cl)Cl)NC1=O
InChIInChI=1S/C5H3Cl5N2O3/c6-3(7,4(8,9)10)5(15)11-1(13)2(14)12-5/h15H,(H,11,13)(H,12,14)
InChIKeyLCDZXFPNNSDTKF-UHFFFAOYSA-N
XLogP0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione 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 2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione?
The IUPAC name of 2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione (CID 20566672) is 2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione.
What is the SMILES notation for 2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione?
The canonical SMILES for 2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione is O=C1NC(O)(C(Cl)(Cl)C(Cl)(Cl)Cl)NC1=O.
What is the InChIKey of 2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione?
The InChIKey is LCDZXFPNNSDTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl5N2O3/c6-3(7,4(8,9)10)5(15)11-1(13)2(14)12-5/h15H,(H,11,13)(H,12,14).
What are the key properties of 2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione?
2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione has a molecular weight of 316.36 g/mol, XLogP of 0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1,1,2,2,2-pentachloroethyl)imidazolidine-4,5-dione is sourced from PubChem (CID 20566672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).