1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione

C16H17ClN2O4 — CID 2663052

IUPAC1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1CCOc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O4/c17-11-5-7-13(8-6-11)23-10-9-18-14(20)15(21)19(16(18)22)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2
InChIKeyVBJUVWHFGTVTFW-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.45
Rot. Bonds5

About 1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione

1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione (PubChem CID 2663052) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione
PubChem CID2663052
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1CCOc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O4/c17-11-5-7-13(8-6-11)23-10-9-18-14(20)15(21)19(16(18)22)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2
InChIKeyVBJUVWHFGTVTFW-UHFFFAOYSA-N
XLogP2.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 9451980
1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione
CID 7756232
1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione
CID 47045320
1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione
CID 7799803
N-[2-(4-chlorophenoxy)ethyl]-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 11929755
(3aR,7aR)-2-[2-(4-chlorophenoxy)ethyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 126383749
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 98280034
3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42898078
1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 7800249
1-[(4-chlorophenyl)methyl]-3-[(1S,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 7800251
2-[2-(4-chlorophenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49235631
2-[4-(4-chlorophenoxy)butyl]isoindole-1,3-dione
CID 2296874

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione (CID 2663052) is 1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione is O=C1C(=O)N(C2CCCC2)C(=O)N1CCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The InChIKey is VBJUVWHFGTVTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c17-11-5-7-13(8-6-11)23-10-9-18-14(20)15(21)19(16(18)22)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione?
1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione has a molecular weight of 336.78 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione is sourced from PubChem (CID 2663052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).