5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione

C19H17Cl3N2O3 — CID 18284754

IUPAC5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CCOc2c(Cl)cccc2Cl)C1=O
InChIInChI=1S/C19H17Cl3N2O3/c1-2-19(12-6-8-13(20)9-7-12)17(25)24(18(26)23-19)10-11-27-16-14(21)4-3-5-15(16)22/h3-9H,2,10-11H2,1H3,(H,23,26)
InChIKeyNLXLUSVSKUCHHN-UHFFFAOYSA-N
MW427.72 g/mol
LogP4.88
Rot. Bonds6

About 5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione

5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione (PubChem CID 18284754) has the molecular formula C19H17Cl3N2O3 and a molecular weight of 427.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione
PubChem CID18284754
Molecular FormulaC19H17Cl3N2O3
Molecular Weight427.72 g/mol
Exact Mass426.03
IUPAC Name5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CCOc2c(Cl)cccc2Cl)C1=O
InChIInChI=1S/C19H17Cl3N2O3/c1-2-19(12-6-8-13(20)9-7-12)17(25)24(18(26)23-19)10-11-27-16-14(21)4-3-5-15(16)22/h3-9H,2,10-11H2,1H3,(H,23,26)
InChIKeyNLXLUSVSKUCHHN-UHFFFAOYSA-N
XLogP4.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.72
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-5-ethyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42982813
3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione
CID 42898066
5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione
CID 18272138
3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4826856
5-(4-chlorophenyl)-5-ethyl-3-(3-hydroxy-3-methylbutyl)imidazolidine-2,4-dione
CID 111825022
(5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7596048
3-[2-(2,6-dichlorophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610121
4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid
CID 82148971
(5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 8639227
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2584636
5-ethyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 46647994

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione (CID 18284754) is 5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione is CCC1(c2ccc(Cl)cc2)NC(=O)N(CCOc2c(Cl)cccc2Cl)C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione?
The InChIKey is NLXLUSVSKUCHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N2O3/c1-2-19(12-6-8-13(20)9-7-12)17(25)24(18(26)23-19)10-11-27-16-14(21)4-3-5-15(16)22/h3-9H,2,10-11H2,1H3,(H,23,26).
What are the key properties of 5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione?
5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione has a molecular weight of 427.72 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 18284754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).