5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C22H23ClN2O3 — CID 42982560

IUPAC5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1ccc(CC)c(C(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C22H23ClN2O3/c1-4-14-6-7-15(5-2)18(12-14)19(26)13-25-20(27)22(3,24-21(25)28)16-8-10-17(23)11-9-16/h6-12H,4-5,13H2,1-3H3,(H,24,28)
InChIKeyQGMIJBUGIOJSMN-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.11
Rot. Bonds6

About 5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 42982560) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID42982560
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1ccc(CC)c(C(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C22H23ClN2O3/c1-4-14-6-7-15(5-2)18(12-14)19(26)13-25-20(27)22(3,24-21(25)28)16-8-10-17(23)11-9-16/h6-12H,4-5,13H2,1-3H3,(H,24,28)
InChIKeyQGMIJBUGIOJSMN-UHFFFAOYSA-N
XLogP4.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.11
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

(5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171078
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7277195
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 42982609
5-(4-chlorophenyl)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42897860
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 46638452
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 42986805
(5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7240441
3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815454
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 2097186
5-(4-chlorophenyl)-5-methyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 17445039
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 2705958
(5R)-5-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41100981

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 42982560) is 5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CCc1ccc(CC)c(C(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3)C2=O)c1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is QGMIJBUGIOJSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-4-14-6-7-15(5-2)18(12-14)19(26)13-25-20(27)22(3,24-21(25)28)16-8-10-17(23)11-9-16/h6-12H,4-5,13H2,1-3H3,(H,24,28).
What are the key properties of 5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 398.89 g/mol, XLogP of 4.11, 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-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42982560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).