1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione

C18H22N2O5 — CID 47045320

IUPAC1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1CCOCCOc1ccccc1
InChIInChI=1S/C18H22N2O5/c21-16-17(22)20(14-6-4-5-7-14)18(23)19(16)10-11-24-12-13-25-15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2
InChIKeyZFSYEJJFWKJETB-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.82
Rot. Bonds8

About 1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione

1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione (PubChem CID 47045320) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione
PubChem CID47045320
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1CCOCCOc1ccccc1
InChIInChI=1S/C18H22N2O5/c21-16-17(22)20(14-6-4-5-7-14)18(23)19(16)10-11-24-12-13-25-15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2
InChIKeyZFSYEJJFWKJETB-UHFFFAOYSA-N
XLogP1.82
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 2663052
1-[2-(3-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 9451980
1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione
CID 84602875
1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione
CID 7756232
1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione
CID 7799803
1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione
CID 34603406
1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 71933259
(5Z)-3-cyclohexyl-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126346235
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
CID 122148902
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
2-(2-phenoxyethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 71943910
(2E)-2-[2-(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylidene]-3,3-dimethyl-1-(2-phenoxyethyl)indole-5-carbonitrile
CID 145162710

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione (CID 47045320) is 1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione is O=C1C(=O)N(C2CCCC2)C(=O)N1CCOCCOc1ccccc1.
What is the InChIKey of 1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione?
The InChIKey is ZFSYEJJFWKJETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c21-16-17(22)20(14-6-4-5-7-14)18(23)19(16)10-11-24-12-13-25-15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2.
What are the key properties of 1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione?
1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione has a molecular weight of 346.38 g/mol, XLogP of 1.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 47045320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).