5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C18H14FN3O3 — CID 46881430

IUPAC5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3ccccc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H14FN3O3/c19-13-7-5-12(6-8-13)18(16(24)20-17(25)21-18)10-22-9-11-3-1-2-4-14(11)15(22)23/h1-8H,9-10H2,(H2,20,21,24,25)
InChIKeyJXRAVILGJNFJFT-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.52
Rot. Bonds3

About 5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 46881430) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID46881430
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3ccccc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H14FN3O3/c19-13-7-5-12(6-8-13)18(16(24)20-17(25)21-18)10-22-9-11-3-1-2-4-14(11)15(22)23/h1-8H,9-10H2,(H2,20,21,24,25)
InChIKeyJXRAVILGJNFJFT-UHFFFAOYSA-N
XLogP1.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one
CID 455111
1H-Isoindole-1,3(2H)-dione, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
CID 453179
2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
3-(N-(phthalimidomethyl)amino)-5-ethyl-6-methylpyridin-2-(1H)-one
CID 126764
2-{[(5,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 464261
2-{[(6-methyl-2-oxo-5-propyl-1,2-dihydropyridin-3-yl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 464262
2-{[(5-butyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 464263
9b-phenyl-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one
CID 455107
(R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 46844314
(R)-5-(4-(5-chloro-6-oxo-1,6-dihydropyridin-3-yl)phenyl)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 46933999
2-(2,5-Dioxo-3-pyrrolidinyl)-1H-isoindole-1,3(2H)-dione
CID 72830
(R)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(4-(6-oxo-1,6-dihydropyridin-3-yl)phenyl)imidazolidine-2,4-dione
CID 46933693

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 46881430) is 5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CN2Cc3ccccc3C2=O)(c2ccc(F)cc2)N1.
What is the InChIKey of 5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is JXRAVILGJNFJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c19-13-7-5-12(6-8-13)18(16(24)20-17(25)21-18)10-22-9-11-3-1-2-4-14(11)15(22)23/h1-8H,9-10H2,(H2,20,21,24,25).
What are the key properties of 5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 339.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46881430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).