5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione

C22H25ClN2O3 — CID 18272138

IUPAC5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CCCOc2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C22H25ClN2O3/c1-4-22(17-6-8-18(23)9-7-17)20(26)25(21(27)24-22)10-5-11-28-19-13-15(2)12-16(3)14-19/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,24,27)
InChIKeySAGPFXQLQLTEMJ-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.58
Rot. Bonds7

About 5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione

5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione (PubChem CID 18272138) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione
PubChem CID18272138
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CCCOc2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C22H25ClN2O3/c1-4-22(17-6-8-18(23)9-7-17)20(26)25(21(27)24-22)10-5-11-28-19-13-15(2)12-16(3)14-19/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,24,27)
InChIKeySAGPFXQLQLTEMJ-UHFFFAOYSA-N
XLogP4.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
(5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 97243668
4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid
CID 82148971
5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione
CID 18284754
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181227
5-(4-chlorophenyl)-5-ethyl-3-(3-hydroxy-3-methylbutyl)imidazolidine-2,4-dione
CID 111825022
(5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 8639227
3-[3-(3,5-dimethylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 46824048
5-(4-chlorophenyl)-5-ethyl-3-[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 42979345
3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione
CID 42898066
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2584636
(5R)-5-(4-chlorophenyl)-5-ethyl-3-prop-2-enylimidazolidine-2,4-dione
CID 97026004

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione (CID 18272138) is 5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione is CCC1(c2ccc(Cl)cc2)NC(=O)N(CCCOc2cc(C)cc(C)c2)C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione?
The InChIKey is SAGPFXQLQLTEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-4-22(17-6-8-18(23)9-7-17)20(26)25(21(27)24-22)10-5-11-28-19-13-15(2)12-16(3)14-19/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,24,27).
What are the key properties of 5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione?
5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione has a molecular weight of 400.91 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 18272138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).