5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C22H23FN4O5 — CID 3943857

IUPAC5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O
InChIInChI=1S/C22H23FN4O5/c1-2-22(15-5-7-16(23)8-6-15)20(30)27(21(31)24-22)14-18(28)25-9-11-26(12-10-25)19(29)17-4-3-13-32-17/h3-8,13H,2,9-12,14H2,1H3,(H,24,31)
InChIKeyCWWZGMDSTOCJFO-UHFFFAOYSA-N
MW442.45 g/mol
LogP1.56
Rot. Bonds5

About 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 3943857) has the molecular formula C22H23FN4O5 and a molecular weight of 442.45 g/mol. Its IUPAC name is 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID3943857
Molecular FormulaC22H23FN4O5
Molecular Weight442.45 g/mol
Exact Mass442.17
IUPAC Name5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O
InChIInChI=1S/C22H23FN4O5/c1-2-22(15-5-7-16(23)8-6-15)20(30)27(21(31)24-22)14-18(28)25-9-11-26(12-10-25)19(29)17-4-3-13-32-17/h3-8,13H,2,9-12,14H2,1H3,(H,24,31)
InChIKeyCWWZGMDSTOCJFO-UHFFFAOYSA-N
XLogP1.56
TPSA103.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 24565962
1-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 46810764
(5R)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622583
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622563
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 30362342
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 9394991
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CID 113195390
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 110355835
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 2705375
(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7264499
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 3943857) is 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O.
What is the InChIKey of 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is CWWZGMDSTOCJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O5/c1-2-22(15-5-7-16(23)8-6-15)20(30)27(21(31)24-22)14-18(28)25-9-11-26(12-10-25)19(29)17-4-3-13-32-17/h3-8,13H,2,9-12,14H2,1H3,(H,24,31).
What are the key properties of 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 442.45 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(4-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 3943857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).