3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione

C21H21FN2O3 — CID 16615032

IUPAC3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(C)cc2C)C1=O
InChIInChI=1S/C21H21FN2O3/c1-4-21(15-6-8-16(22)9-7-15)19(26)24(20(27)23-21)12-18(25)17-10-5-13(2)11-14(17)3/h5-11H,4,12H2,1-3H3,(H,23,27)
InChIKeyRGOUPHHTKUPWEZ-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.48
Rot. Bonds5

About 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione

3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 16615032) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID16615032
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(C)cc2C)C1=O
InChIInChI=1S/C21H21FN2O3/c1-4-21(15-6-8-16(22)9-7-15)19(26)24(20(27)23-21)12-18(25)17-10-5-13(2)11-14(17)3/h5-11H,4,12H2,1-3H3,(H,23,27)
InChIKeyRGOUPHHTKUPWEZ-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.48
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

(5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7621362
N-(2,4-dimethylphenyl)-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7264774
(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 2086402
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
(5S)-3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181267
(5R)-5-ethyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 42064162
5-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 4804731
(5R)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 27141300
(5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 41169021
N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804739
(5R)-5-ethyl-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181283
(5S)-5-(4-chlorophenyl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione
CID 30285921

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 16615032) is 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(C)cc2C)C1=O.
What is the InChIKey of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is RGOUPHHTKUPWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-4-21(15-6-8-16(22)9-7-15)19(26)24(20(27)23-21)12-18(25)17-10-5-13(2)11-14(17)3/h5-11H,4,12H2,1-3H3,(H,23,27).
What are the key properties of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 368.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 16615032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).