5-ethyl-5-(4-fluorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione

C17H20FN3O4 — CID 2998155

IUPAC5-ethyl-5-(4-fluorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C17H20FN3O4/c1-2-17(12-3-5-13(18)6-4-12)15(23)21(16(24)19-17)11-14(22)20-7-9-25-10-8-20/h3-6H,2,7-11H2,1H3,(H,19,24)
InChIKeyMEYIECGZVVRKGX-UHFFFAOYSA-N
MW349.36 g/mol
LogP0.84
Rot. Bonds4

About 5-ethyl-5-(4-fluorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione

5-ethyl-5-(4-fluorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione (PubChem CID 2998155) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is 5-ethyl-5-(4-fluorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-(4-fluorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
PubChem CID2998155
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name5-ethyl-5-(4-fluorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C17H20FN3O4/c1-2-17(12-3-5-13(18)6-4-12)15(23)21(16(24)19-17)11-14(22)20-7-9-25-10-8-20/h3-6H,2,7-11H2,1H3,(H,19,24)
InChIKeyMEYIECGZVVRKGX-UHFFFAOYSA-N
XLogP0.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(4-fluorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-(4-fluorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione (CID 2998155) is 5-ethyl-5-(4-fluorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-(4-fluorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-(4-fluorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione is CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O.
What is the InChIKey of 5-ethyl-5-(4-fluorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione?
The InChIKey is MEYIECGZVVRKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c1-2-17(12-3-5-13(18)6-4-12)15(23)21(16(24)19-17)11-14(22)20-7-9-25-10-8-20/h3-6H,2,7-11H2,1H3,(H,19,24).
What are the key properties of 5-ethyl-5-(4-fluorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione?
5-ethyl-5-(4-fluorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione has a molecular weight of 349.36 g/mol, XLogP of 0.84, 4 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-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2998155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).