5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C23H24FN3O4 — CID 42937258

IUPAC5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2CCCN2C(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C23H24FN3O4/c1-23(16-7-9-17(24)10-8-16)21(29)27(22(30)25-23)14-20(28)26-13-3-4-19(26)15-5-11-18(31-2)12-6-15/h5-12,19H,3-4,13-14H2,1-2H3,(H,25,30)
InChIKeyMOQQUOLWRHYHQC-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.96
Rot. Bonds5

About 5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 42937258) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID42937258
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2CCCN2C(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C23H24FN3O4/c1-23(16-7-9-17(24)10-8-16)21(29)27(22(30)25-23)14-20(28)26-13-3-4-19(26)15-5-11-18(31-2)12-6-15/h5-12,19H,3-4,13-14H2,1-2H3,(H,25,30)
InChIKeyMOQQUOLWRHYHQC-UHFFFAOYSA-N
XLogP2.96
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.96
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

5-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 43048123
(5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41367932
(5S)-3-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 41311848
3-[2-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 55416101
(5S)-3-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41176561
(5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 52501154
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
3-[4-[2-(4-methoxyphenyl)azepan-1-yl]-4-oxobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47013106
3-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 9462521
1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile
CID 49063610
(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
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119381700

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 42937258) is 5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is COc1ccc(C2CCCN2C(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is MOQQUOLWRHYHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-23(16-7-9-17(24)10-8-16)21(29)27(22(30)25-23)14-20(28)26-13-3-4-19(26)15-5-11-18(31-2)12-6-15/h5-12,19H,3-4,13-14H2,1-2H3,(H,25,30).
What are the key properties of 5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 425.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42937258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).