(5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione

C22H23ClN2O3 — CID 7594320

IUPAC(5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)c2cc(C)c(C)cc2C)C1=O
InChIInChI=1S/C22H23ClN2O3/c1-5-22(16-7-6-8-17(23)11-16)20(27)25(21(28)24-22)12-19(26)18-10-14(3)13(2)9-15(18)4/h6-11H,5,12H2,1-4H3,(H,24,28)/t22-/m0/s1
InChIKeyTUGKZPHZPOYJGH-QFIPXVFZSA-N
MW398.89 g/mol
LogP4.31
Rot. Bonds5

About (5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione

(5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 7594320) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is (5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione
PubChem CID7594320
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name(5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)c2cc(C)c(C)cc2C)C1=O
InChIInChI=1S/C22H23ClN2O3/c1-5-22(16-7-6-8-17(23)11-16)20(27)25(21(28)24-22)12-19(26)18-10-14(3)13(2)9-15(18)4/h6-11H,5,12H2,1-4H3,(H,24,28)/t22-/m0/s1
InChIKeyTUGKZPHZPOYJGH-QFIPXVFZSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.31
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

N-[(3-chlorophenyl)methyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242669
(5S)-5-(4-chlorophenyl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione
CID 30285921
2-[(4R)-4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 41208228
2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 75532088
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 16615032
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 2531072
(5R)-5-(4-chlorophenyl)-5-ethyl-3-phenacylimidazolidine-2,4-dione
CID 2680959
ethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 42898024
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetohydrazide
CID 27600419
2-(3-chlorophenoxy)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309988
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione (CID 7594320) is (5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione is CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)c2cc(C)c(C)cc2C)C1=O.
What is the InChIKey of (5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is TUGKZPHZPOYJGH-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-5-22(16-7-6-8-17(23)11-16)20(27)25(21(28)24-22)12-19(26)18-10-14(3)13(2)9-15(18)4/h6-11H,5,12H2,1-4H3,(H,24,28)/t22-/m0/s1.
What are the key properties of (5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione?
(5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 398.89 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7594320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).