1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione

C11H8Cl2N2O4S — CID 9374516

IUPAC1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CC(=O)c2cc(Cl)sc2Cl)C1=O
InChIInChI=1S/C11H8Cl2N2O4S/c1-2-14-9(17)10(18)15(11(14)19)4-6(16)5-3-7(12)20-8(5)13/h3H,2,4H2,1H3
InChIKeyHOWOYWLEYGRRPP-UHFFFAOYSA-N
MW335.17 g/mol
LogP2.05
Rot. Bonds4

About 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione

1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione (PubChem CID 9374516) has the molecular formula C11H8Cl2N2O4S and a molecular weight of 335.17 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
PubChem CID9374516
Molecular FormulaC11H8Cl2N2O4S
Molecular Weight335.17 g/mol
Exact Mass333.96
IUPAC Name1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CC(=O)c2cc(Cl)sc2Cl)C1=O
InChIInChI=1S/C11H8Cl2N2O4S/c1-2-14-9(17)10(18)15(11(14)19)4-6(16)5-3-7(12)20-8(5)13/h3H,2,4H2,1H3
InChIKeyHOWOYWLEYGRRPP-UHFFFAOYSA-N
XLogP2.05
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione (CID 9374516) is 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(CC(=O)c2cc(Cl)sc2Cl)C1=O.
What is the InChIKey of 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione?
The InChIKey is HOWOYWLEYGRRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O4S/c1-2-14-9(17)10(18)15(11(14)19)4-6(16)5-3-7(12)20-8(5)13/h3H,2,4H2,1H3.
What are the key properties of 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione?
1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione has a molecular weight of 335.17 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione is sourced from PubChem (CID 9374516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).