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

C25H17F4N3O3 — CID 90816797

IUPAC(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1
InChIInChI=1S/C25H17F4N3O3/c26-19-10-5-16-12-32(21(33)20(16)11-19)13-24(22(34)30-23(35)31-24)17-6-1-14(2-7-17)15-3-8-18(9-4-15)25(27,28)29/h1-12,33H,13H2,(H2,30,31,34,35)/t24-/m0/s1
InChIKeyJYJOSJLCNNVOLS-DEOSSOPVSA-N
MW483.42 g/mol
LogP4.91
Rot. Bonds4

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

(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione (PubChem CID 90816797) has the molecular formula C25H17F4N3O3 and a molecular weight of 483.42 g/mol. Its IUPAC name is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
PubChem CID90816797
Molecular FormulaC25H17F4N3O3
Molecular Weight483.42 g/mol
Exact Mass483.12
IUPAC Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1
InChIInChI=1S/C25H17F4N3O3/c26-19-10-5-16-12-32(21(33)20(16)11-19)13-24(22(34)30-23(35)31-24)17-6-1-14(2-7-17)15-3-8-18(9-4-15)25(27,28)29/h1-12,33H,13H2,(H2,30,31,34,35)/t24-/m0/s1
InChIKeyJYJOSJLCNNVOLS-DEOSSOPVSA-N
XLogP4.91
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.42
LogP ≤ 54.91
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

2,7-difluoro-9-[4-[4-(1-hydroxyisoindol-2-yl)piperidin-1-yl]but-2-enyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 54031406
(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
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione
CID 90730464
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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione (CID 90816797) is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1.
What is the InChIKey of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is JYJOSJLCNNVOLS-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H17F4N3O3/c26-19-10-5-16-12-32(21(33)20(16)11-19)13-24(22(34)30-23(35)31-24)17-6-1-14(2-7-17)15-3-8-18(9-4-15)25(27,28)29/h1-12,33H,13H2,(H2,30,31,34,35)/t24-/m0/s1.
What are the key properties of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione?
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 483.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90816797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).