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

C16H16Cl2N2O4 — CID 7756232

IUPAC1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O4/c17-10-5-6-13(12(18)9-10)24-8-7-19-14(21)15(22)20(16(19)23)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8H2
InChIKeyUAFXRDQJGWVMMQ-UHFFFAOYSA-N
MW371.22 g/mol
LogP3.11
Rot. Bonds5

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

1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione (PubChem CID 7756232) has the molecular formula C16H16Cl2N2O4 and a molecular weight of 371.22 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione
PubChem CID7756232
Molecular FormulaC16H16Cl2N2O4
Molecular Weight371.22 g/mol
Exact Mass370.05
IUPAC Name1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O4/c17-10-5-6-13(12(18)9-10)24-8-7-19-14(21)15(22)20(16(19)23)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8H2
InChIKeyUAFXRDQJGWVMMQ-UHFFFAOYSA-N
XLogP3.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 53.11
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-(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-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7652287
8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233711
2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690332
2-[2-(2-bromo-4-chlorophenoxy)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 17464485
1-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 41070149
1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
CID 113220137
1-[2-(2,4-dichlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440816
2-[2-(2,4-dichlorophenoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 2417315
(3R,5R)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893166
(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893165

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione (CID 7756232) is 1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione is O=C1C(=O)N(C2CCCC2)C(=O)N1CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione?
The InChIKey is UAFXRDQJGWVMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4/c17-10-5-6-13(12(18)9-10)24-8-7-19-14(21)15(22)20(16(19)23)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8H2.
What are the key properties of 1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione?
1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione has a molecular weight of 371.22 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7756232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).