1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione

C14H14Cl2N2O4 — CID 7652287

IUPAC1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCC(C)N1C(=O)C(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C14H14Cl2N2O4/c1-8(2)18-13(20)12(19)17(14(18)21)5-6-22-11-4-3-9(15)7-10(11)16/h3-4,7-8H,5-6H2,1-2H3
InChIKeyQKZMDSZRRPHFGB-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.57
Rot. Bonds5

About 1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione

1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione (PubChem CID 7652287) has the molecular formula C14H14Cl2N2O4 and a molecular weight of 345.18 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
PubChem CID7652287
Molecular FormulaC14H14Cl2N2O4
Molecular Weight345.18 g/mol
Exact Mass344.03
IUPAC Name1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCC(C)N1C(=O)C(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C14H14Cl2N2O4/c1-8(2)18-13(20)12(19)17(14(18)21)5-6-22-11-4-3-9(15)7-10(11)16/h3-4,7-8H,5-6H2,1-2H3
InChIKeyQKZMDSZRRPHFGB-UHFFFAOYSA-N
XLogP2.57
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.57
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-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione
CID 7756232
1-[2-(2,5-dichlorophenoxy)ethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione
CID 112813072
1-[2-(4-bromophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7652330
1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine
CID 63911030
4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one
CID 56574948
5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4025204
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
5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione
CID 9196252
3-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione
CID 39972535
3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 5095700

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione (CID 7652287) is 1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione is CC(C)N1C(=O)C(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The InChIKey is QKZMDSZRRPHFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4/c1-8(2)18-13(20)12(19)17(14(18)21)5-6-22-11-4-3-9(15)7-10(11)16/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione has a molecular weight of 345.18 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione is sourced from PubChem (CID 7652287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).