2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione

C5H6Cl2N2O3 — CID 20566675

IUPAC2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione
SMILESCC(Cl)(Cl)C1(O)NC(=O)C(=O)N1
InChIInChI=1S/C5H6Cl2N2O3/c1-4(6,7)5(12)8-2(10)3(11)9-5/h12H,1H3,(H,8,10)(H,9,11)
InChIKeyPDIMBBVVGCNHEE-UHFFFAOYSA-N
MW213.02 g/mol
LogP-0.93
Rot. Bonds1

About 2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione

2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione (PubChem CID 20566675) has the molecular formula C5H6Cl2N2O3 and a molecular weight of 213.02 g/mol. Its IUPAC name is 2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione.

Molecular Properties

Compound Name2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione
PubChem CID20566675
Molecular FormulaC5H6Cl2N2O3
Molecular Weight213.02 g/mol
Exact Mass211.98
IUPAC Name2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione
SMILESCC(Cl)(Cl)C1(O)NC(=O)C(=O)N1
InChIInChI=1S/C5H6Cl2N2O3/c1-4(6,7)5(12)8-2(10)3(11)9-5/h12H,1H3,(H,8,10)(H,9,11)
InChIKeyPDIMBBVVGCNHEE-UHFFFAOYSA-N
XLogP-0.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.02
LogP ≤ 5-0.93
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione?
The IUPAC name of 2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione (CID 20566675) is 2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione.
What is the SMILES notation for 2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione?
The canonical SMILES for 2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione is CC(Cl)(Cl)C1(O)NC(=O)C(=O)N1.
What is the InChIKey of 2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione?
The InChIKey is PDIMBBVVGCNHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N2O3/c1-4(6,7)5(12)8-2(10)3(11)9-5/h12H,1H3,(H,8,10)(H,9,11).
What are the key properties of 2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione?
2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione has a molecular weight of 213.02 g/mol, XLogP of -0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dichloroethyl)-2-hydroxyimidazolidine-4,5-dione is sourced from PubChem (CID 20566675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).