(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione

C18H22FN3O3 — CID 7264837

IUPAC(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O
InChIInChI=1S/C18H22FN3O3/c1-2-18(13-6-8-14(19)9-7-13)16(24)22(17(25)20-18)12-15(23)21-10-4-3-5-11-21/h6-9H,2-5,10-12H2,1H3,(H,20,25)/t18-/m0/s1
InChIKeyGIUGRFOIZILDOL-SFHVURJKSA-N
MW347.39 g/mol
LogP2.00
Rot. Bonds4

About (5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione

(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione (PubChem CID 7264837) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is (5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
PubChem CID7264837
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O
InChIInChI=1S/C18H22FN3O3/c1-2-18(13-6-8-14(19)9-7-13)16(24)22(17(25)20-18)12-15(23)21-10-4-3-5-11-21/h6-9H,2-5,10-12H2,1H3,(H,20,25)/t18-/m0/s1
InChIKeyGIUGRFOIZILDOL-SFHVURJKSA-N
XLogP2.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.00
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)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571131
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40748676
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622563
(5R)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622583
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 30362342
(5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181317
5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 3943857
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 4804767
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 24565962
(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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione (CID 7264837) is (5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione is CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O.
What is the InChIKey of (5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
The InChIKey is GIUGRFOIZILDOL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-2-18(13-6-8-14(19)9-7-13)16(24)22(17(25)20-18)12-15(23)21-10-4-3-5-11-21/h6-9H,2-5,10-12H2,1H3,(H,20,25)/t18-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione has a molecular weight of 347.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7264837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).