2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione

C4H3Cl3N2O3 — CID 20566673

IUPAC2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione
SMILESO=C1NC(O)(C(Cl)(Cl)Cl)NC1=O
InChIInChI=1S/C4H3Cl3N2O3/c5-3(6,7)4(12)8-1(10)2(11)9-4/h12H,(H,8,10)(H,9,11)
InChIKeyOTOXIJAKBDURFF-UHFFFAOYSA-N
MW233.44 g/mol
LogP-0.75
Rot. Bonds

About 2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione

2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione (PubChem CID 20566673) has the molecular formula C4H3Cl3N2O3 and a molecular weight of 233.44 g/mol. Its IUPAC name is 2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione.

Molecular Properties

Compound Name2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione
PubChem CID20566673
Molecular FormulaC4H3Cl3N2O3
Molecular Weight233.44 g/mol
Exact Mass231.92
IUPAC Name2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione
SMILESO=C1NC(O)(C(Cl)(Cl)Cl)NC1=O
InChIInChI=1S/C4H3Cl3N2O3/c5-3(6,7)4(12)8-1(10)2(11)9-4/h12H,(H,8,10)(H,9,11)
InChIKeyOTOXIJAKBDURFF-UHFFFAOYSA-N
XLogP-0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.44
LogP ≤ 5-0.75
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-(trichloromethyl)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

Related Compounds

CID 20566672
CID 20566672
CID 20566675
CID 20566675

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione?
The IUPAC name of 2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione (CID 20566673) is 2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione.
What is the SMILES notation for 2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione?
The canonical SMILES for 2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione is O=C1NC(O)(C(Cl)(Cl)Cl)NC1=O.
What is the InChIKey of 2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione?
The InChIKey is OTOXIJAKBDURFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl3N2O3/c5-3(6,7)4(12)8-1(10)2(11)9-4/h12H,(H,8,10)(H,9,11).
What are the key properties of 2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione?
2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione has a molecular weight of 233.44 g/mol, XLogP of -0.75, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(trichloromethyl)imidazolidine-4,5-dione is sourced from PubChem (CID 20566673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).