(5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

C25H28FN3O3 — CID 98765215

IUPAC(5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C25H28FN3O3/c1-3-20(17-8-5-4-6-9-17)21-10-7-15-28(21)22(30)16-29-23(31)25(2,27-24(29)32)18-11-13-19(26)14-12-18/h4-6,8-9,11-14,20-21H,3,7,10,15-16H2,1-2H3,(H,27,32)/t20-,21+,25+/m1/s1
InChIKeyNFGYQCLKRPEOMK-CZSZKKDXSA-N
MW437.52 g/mol
LogP3.78
Rot. Bonds6

About (5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

(5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 98765215) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is (5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID98765215
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name(5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C25H28FN3O3/c1-3-20(17-8-5-4-6-9-17)21-10-7-15-28(21)22(30)16-29-23(31)25(2,27-24(29)32)18-11-13-19(26)14-12-18/h4-6,8-9,11-14,20-21H,3,7,10,15-16H2,1-2H3,(H,27,32)/t20-,21+,25+/m1/s1
InChIKeyNFGYQCLKRPEOMK-CZSZKKDXSA-N
XLogP3.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5R)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 2453229
5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42937258
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
(5R)-5-(4-chlorophenyl)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2577171
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119381700
(5S)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7802480
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
5-methyl-3-[2-oxo-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 136529802
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride
CID 119381699
(5S)-5-(4-fluorophenyl)-5-methyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 27140977
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119376803
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethanone
CID 94838289

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 98765215) is (5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O.
What is the InChIKey of (5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is NFGYQCLKRPEOMK-CZSZKKDXSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-3-20(17-8-5-4-6-9-17)21-10-7-15-28(21)22(30)16-29-23(31)25(2,27-24(29)32)18-11-13-19(26)14-12-18/h4-6,8-9,11-14,20-21H,3,7,10,15-16H2,1-2H3,(H,27,32)/t20-,21+,25+/m1/s1.
What are the key properties of (5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
(5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 437.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 98765215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).