3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione

C10H9ClN2O3S — CID 4028749

IUPAC3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C10H9ClN2O3S/c1-12-5-9(15)13(10(12)16)4-6(14)7-2-3-8(11)17-7/h2-3H,4-5H2,1H3
InChIKeyJURAIHPZILTYQL-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.48
Rot. Bonds3

About 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione

3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 4028749) has the molecular formula C10H9ClN2O3S and a molecular weight of 272.71 g/mol. Its IUPAC name is 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
PubChem CID4028749
Molecular FormulaC10H9ClN2O3S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C10H9ClN2O3S/c1-12-5-9(15)13(10(12)16)4-6(14)7-2-3-8(11)17-7/h2-3H,4-5H2,1H3
InChIKeyJURAIHPZILTYQL-UHFFFAOYSA-N
XLogP1.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione (CID 4028749) is 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O.
What is the InChIKey of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is JURAIHPZILTYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S/c1-12-5-9(15)13(10(12)16)4-6(14)7-2-3-8(11)17-7/h2-3H,4-5H2,1H3.
What are the key properties of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 272.71 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 4028749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).