5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

C18H12F3N3O3 — CID 90707302

IUPAC5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3ccc(F)cc3c2O)(c2ccc(F)cc2F)N1
InChIInChI=1S/C18H12F3N3O3/c19-10-2-1-9-7-24(15(25)12(9)5-10)8-18(16(26)22-17(27)23-18)13-4-3-11(20)6-14(13)21/h1-7,25H,8H2,(H2,22,23,26,27)
InChIKeyZSICGZPLJSPFEA-UHFFFAOYSA-N
MW375.31 g/mol
LogP2.50
Rot. Bonds3

About 5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 90707302) has the molecular formula C18H12F3N3O3 and a molecular weight of 375.31 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID90707302
Molecular FormulaC18H12F3N3O3
Molecular Weight375.31 g/mol
Exact Mass375.08
IUPAC Name5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3ccc(F)cc3c2O)(c2ccc(F)cc2F)N1
InChIInChI=1S/C18H12F3N3O3/c19-10-2-1-9-7-24(15(25)12(9)5-10)8-18(16(26)22-17(27)23-18)13-4-3-11(20)6-14(13)21/h1-7,25H,8H2,(H2,22,23,26,27)
InChIKeyZSICGZPLJSPFEA-UHFFFAOYSA-N
XLogP2.50
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-3-(1-hydroxyisoindol-2-yl)piperidine-2,6-dione
CID 53935595
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione
CID 90697260
(5R)-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90698350
5-(4-Fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90700643
(2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide
CID 90715981
5-[(5-But-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 90716096
(5R)-5-[[5-(cyclopropylmethoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 90717243
(5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90721253
5-[(6-Fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 90728782
(5R)-5-[2-(2,3-difluorophenyl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90738092
(5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione
CID 90740839
5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90750580

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 90707302) is 5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(Cn2cc3ccc(F)cc3c2O)(c2ccc(F)cc2F)N1.
What is the InChIKey of 5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is ZSICGZPLJSPFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O3/c19-10-2-1-9-7-24(15(25)12(9)5-10)8-18(16(26)22-17(27)23-18)13-4-3-11(20)6-14(13)21/h1-7,25H,8H2,(H2,22,23,26,27).
What are the key properties of 5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 375.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90707302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).