5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione

C19H13F4N3O3 — CID 90780342

IUPAC5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3ccc(C(F)(F)F)cc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C19H13F4N3O3/c20-13-5-3-11(4-6-13)18(16(28)24-17(29)25-18)9-26-8-10-1-2-12(19(21,22)23)7-14(10)15(26)27/h1-8,27H,9H2,(H2,24,25,28,29)
InChIKeyUYLJWSOKVUAKAX-UHFFFAOYSA-N
MW407.32 g/mol
LogP3.24
Rot. Bonds3

About 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione

5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 90780342) has the molecular formula C19H13F4N3O3 and a molecular weight of 407.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID90780342
Molecular FormulaC19H13F4N3O3
Molecular Weight407.32 g/mol
Exact Mass407.09
IUPAC Name5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3ccc(C(F)(F)F)cc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C19H13F4N3O3/c20-13-5-3-11(4-6-13)18(16(28)24-17(29)25-18)9-26-8-10-1-2-12(19(21,22)23)7-14(10)15(26)27/h1-8,27H,9H2,(H2,24,25,28,29)
InChIKeyUYLJWSOKVUAKAX-UHFFFAOYSA-N
XLogP3.24
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 53.24
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

(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
5-(2,4-Difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90707302
(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
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 90734875
(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
(5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90759376
(5R)-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90759681
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90769418

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione (CID 90780342) is 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(Cn2cc3ccc(C(F)(F)F)cc3c2O)(c2ccc(F)cc2)N1.
What is the InChIKey of 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is UYLJWSOKVUAKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O3/c20-13-5-3-11(4-6-13)18(16(28)24-17(29)25-18)9-26-8-10-1-2-12(19(21,22)23)7-14(10)15(26)27/h1-8,27H,9H2,(H2,24,25,28,29).
What are the key properties of 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione?
5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 407.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90780342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).