(5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione

C18H22FN3O4 — CID 52508667

IUPAC(5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC[C@H]1CN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)CCO1
InChIInChI=1S/C18H22FN3O4/c1-3-12-10-21(8-9-26-12)15(23)11-22-16(24)18(2,20-17(22)25)13-6-4-5-7-14(13)19/h4-7,12H,3,8-11H2,1-2H3,(H,20,25)/t12-,18-/m0/s1
InChIKeyLDNBTGZXIKHGBU-SGTLLEGYSA-N
MW363.39 g/mol
LogP1.23
Rot. Bonds4

About (5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 52508667) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is (5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID52508667
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name(5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC[C@H]1CN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)CCO1
InChIInChI=1S/C18H22FN3O4/c1-3-12-10-21(8-9-26-12)15(23)11-22-16(24)18(2,20-17(22)25)13-6-4-5-7-14(13)19/h4-7,12H,3,8-11H2,1-2H3,(H,20,25)/t12-,18-/m0/s1
InChIKeyLDNBTGZXIKHGBU-SGTLLEGYSA-N
XLogP1.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.23
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

(5S)-5-(2-fluorophenyl)-5-methyl-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95151894
(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 94797964
5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 46674957
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
(5R)-5-(2-chlorophenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 2702196
N-cyclopropyl-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 47082477
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 94800969
N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 94815011
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 94818608
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 46675649
(5S)-5-(2-chlorophenyl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 2702291

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 52508667) is (5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione is CC[C@H]1CN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)CCO1.
What is the InChIKey of (5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is LDNBTGZXIKHGBU-SGTLLEGYSA-N. The full InChI is InChI=1S/C18H22FN3O4/c1-3-12-10-21(8-9-26-12)15(23)11-22-16(24)18(2,20-17(22)25)13-6-4-5-7-14(13)19/h4-7,12H,3,8-11H2,1-2H3,(H,20,25)/t12-,18-/m0/s1.
What are the key properties of (5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 363.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 52508667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).