5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione

C22H19FN2O3S — CID 24521023

IUPAC5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2sc3ccccc3c2C)C1=O
InChIInChI=1S/C22H19FN2O3S/c1-3-22(14-8-10-15(23)11-9-14)20(27)25(21(28)24-22)12-17(26)19-13(2)16-6-4-5-7-18(16)29-19/h4-11H,3,12H2,1-2H3,(H,24,28)
InChIKeyNLGUOEHSPFQPHQ-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.39
Rot. Bonds5

About 5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione

5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 24521023) has the molecular formula C22H19FN2O3S and a molecular weight of 410.47 g/mol. Its IUPAC name is 5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID24521023
Molecular FormulaC22H19FN2O3S
Molecular Weight410.47 g/mol
Exact Mass410.11
IUPAC Name5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2sc3ccccc3c2C)C1=O
InChIInChI=1S/C22H19FN2O3S/c1-3-22(14-8-10-15(23)11-9-14)20(27)25(21(28)24-22)12-17(26)19-13(2)16-6-4-5-7-18(16)29-19/h4-11H,3,12H2,1-2H3,(H,24,28)
InChIKeyNLGUOEHSPFQPHQ-UHFFFAOYSA-N
XLogP4.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4810291
(3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 41144007
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 16615032
(5R)-5-ethyl-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181283
(5R,6S)-6-methyl-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41131173
(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 2086402
N-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide
CID 8521713
(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7264499
N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804739
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 7264635
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7802349

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 24521023) is 5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione is CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2sc3ccccc3c2C)C1=O.
What is the InChIKey of 5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is NLGUOEHSPFQPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3S/c1-3-22(14-8-10-15(23)11-9-14)20(27)25(21(28)24-22)12-17(26)19-13(2)16-6-4-5-7-18(16)29-19/h4-11H,3,12H2,1-2H3,(H,24,28).
What are the key properties of 5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 410.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24521023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).