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

C12H13ClN2O3S — CID 60623088

IUPAC3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C12H13ClN2O3S/c1-3-12(2)10(17)15(11(18)14-12)6-7(16)8-4-5-9(13)19-8/h4-5H,3,6H2,1-2H3,(H,14,18)
InChIKeyXIMKNBGXGRVXJM-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.30
Rot. Bonds4

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

3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 60623088) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID60623088
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C12H13ClN2O3S/c1-3-12(2)10(17)15(11(18)14-12)6-7(16)8-4-5-9(13)19-8/h4-5H,3,6H2,1-2H3,(H,14,18)
InChIKeyXIMKNBGXGRVXJM-UHFFFAOYSA-N
XLogP2.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2438011
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2710885
5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 3998929
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7794140
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione
CID 55156736
5-ethyl-5-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 62024810
5-ethyl-3-[2-(furan-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 60623077
5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60623089
(5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 94154843
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916645
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793739
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 94154833

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 60623088) is 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O.
What is the InChIKey of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is XIMKNBGXGRVXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-3-12(2)10(17)15(11(18)14-12)6-7(16)8-4-5-9(13)19-8/h4-5H,3,6H2,1-2H3,(H,14,18).
What are the key properties of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 300.77 g/mol, XLogP of 2.30, 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-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 60623088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).