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

C24H17ClFN3O3 — CID 90782383

IUPAC(5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(Cl)cc3c2O)(c2ccc(-c3ccc(F)cc3)cc2)N1
InChIInChI=1S/C24H17ClFN3O3/c25-18-8-3-16-12-29(21(30)20(16)11-18)13-24(22(31)27-23(32)28-24)17-6-1-14(2-7-17)15-4-9-19(26)10-5-15/h1-12,30H,13H2,(H2,27,28,31,32)/t24-/m0/s1
InChIKeyXWDFCYZCEHPCRY-DEOSSOPVSA-N
MW449.87 g/mol
LogP4.54
Rot. Bonds4

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

(5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione (PubChem CID 90782383) has the molecular formula C24H17ClFN3O3 and a molecular weight of 449.87 g/mol. Its IUPAC name is (5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione
PubChem CID90782383
Molecular FormulaC24H17ClFN3O3
Molecular Weight449.87 g/mol
Exact Mass449.09
IUPAC Name(5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(Cl)cc3c2O)(c2ccc(-c3ccc(F)cc3)cc2)N1
InChIInChI=1S/C24H17ClFN3O3/c25-18-8-3-16-12-29(21(30)20(16)11-18)13-24(22(31)27-23(32)28-24)17-6-1-14(2-7-17)15-4-9-19(26)10-5-15/h1-12,30H,13H2,(H2,27,28,31,32)/t24-/m0/s1
InChIKeyXWDFCYZCEHPCRY-DEOSSOPVSA-N
XLogP4.54
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.87
LogP ≤ 54.54
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
5-(2,4-Difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90707302
5-[(6-Fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 90728782
(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
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90769418
5-(4-Fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 90780342
5-(4-Fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 90790489
(5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90791387
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione
CID 90797682
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90816797

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione (CID 90782383) is (5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](Cn2cc3ccc(Cl)cc3c2O)(c2ccc(-c3ccc(F)cc3)cc2)N1.
What is the InChIKey of (5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is XWDFCYZCEHPCRY-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H17ClFN3O3/c25-18-8-3-16-12-29(21(30)20(16)11-18)13-24(22(31)27-23(32)28-24)17-6-1-14(2-7-17)15-4-9-19(26)10-5-15/h1-12,30H,13H2,(H2,27,28,31,32)/t24-/m0/s1.
What are the key properties of (5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 449.87 g/mol, XLogP of 4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90782383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).