1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione

C7H11ClN2O3 — CID 155541965

IUPAC1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CCO)C(=O)N1Cl
InChIInChI=1S/C7H11ClN2O3/c1-7(2)5(12)9(3-4-11)6(13)10(7)8/h11H,3-4H2,1-2H3
InChIKeyCETAGSBBNZXVCB-UHFFFAOYSA-N
MW206.63 g/mol
LogP0.18
Rot. Bonds2

About 1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione

1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 155541965) has the molecular formula C7H11ClN2O3 and a molecular weight of 206.63 g/mol. Its IUPAC name is 1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID155541965
Molecular FormulaC7H11ClN2O3
Molecular Weight206.63 g/mol
Exact Mass206.05
IUPAC Name1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CCO)C(=O)N1Cl
InChIInChI=1S/C7H11ClN2O3/c1-7(2)5(12)9(3-4-11)6(13)10(7)8/h11H,3-4H2,1-2H3
InChIKeyCETAGSBBNZXVCB-UHFFFAOYSA-N
XLogP0.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione (CID 155541965) is 1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(CCO)C(=O)N1Cl.
What is the InChIKey of 1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is CETAGSBBNZXVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O3/c1-7(2)5(12)9(3-4-11)6(13)10(7)8/h11H,3-4H2,1-2H3.
What are the key properties of 1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione?
1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 206.63 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 155541965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).