3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

C17H15ClN2O3S — CID 3276974

IUPAC3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(Cl)s3)C2=O)cc1
InChIInChI=1S/C17H15ClN2O3S/c1-10-3-5-11(6-4-10)17(2)15(22)20(16(23)19-17)9-12(21)13-7-8-14(18)24-13/h3-8H,9H2,1-2H3,(H,19,23)
InChIKeyOQEXKRXQXPTVBX-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.36
Rot. Bonds4

About 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 3276974) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID3276974
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(Cl)s3)C2=O)cc1
InChIInChI=1S/C17H15ClN2O3S/c1-10-3-5-11(6-4-10)17(2)15(22)20(16(23)19-17)9-12(21)13-7-8-14(18)24-13/h3-8H,9H2,1-2H3,(H,19,23)
InChIKeyOQEXKRXQXPTVBX-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.36
H-Bond Donors ≤ 51
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]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 3276974) is 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(Cl)s3)C2=O)cc1.
What is the InChIKey of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is OQEXKRXQXPTVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-10-3-5-11(6-4-10)17(2)15(22)20(16(23)19-17)9-12(21)13-7-8-14(18)24-13/h3-8H,9H2,1-2H3,(H,19,23).
What are the key properties of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 362.84 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 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]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 3276974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).