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

C24H16F3N3O3 — CID 90791387

IUPAC(5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccc(F)cc3F)cc2)N1
InChIInChI=1S/C24H16F3N3O3/c25-16-6-3-14-11-30(21(31)19(14)9-16)12-24(22(32)28-23(33)29-24)15-4-1-13(2-5-15)18-8-7-17(26)10-20(18)27/h1-11,31H,12H2,(H2,28,29,32,33)/t24-/m0/s1
InChIKeyVJVOCXPSMOXKOB-DEOSSOPVSA-N
MW451.40 g/mol
LogP4.17
Rot. Bonds4

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

(5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 90791387) has the molecular formula C24H16F3N3O3 and a molecular weight of 451.40 g/mol. Its IUPAC name is (5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID90791387
Molecular FormulaC24H16F3N3O3
Molecular Weight451.40 g/mol
Exact Mass451.11
IUPAC Name(5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccc(F)cc3F)cc2)N1
InChIInChI=1S/C24H16F3N3O3/c25-16-6-3-14-11-30(21(31)19(14)9-16)12-24(22(32)28-23(33)29-24)15-4-1-13(2-5-15)18-8-7-17(26)10-20(18)27/h1-11,31H,12H2,(H2,28,29,32,33)/t24-/m0/s1
InChIKeyVJVOCXPSMOXKOB-DEOSSOPVSA-N
XLogP4.17
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 90791387) is (5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccc(F)cc3F)cc2)N1.
What is the InChIKey of (5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is VJVOCXPSMOXKOB-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H16F3N3O3/c25-16-6-3-14-11-30(21(31)19(14)9-16)12-24(22(32)28-23(33)29-24)15-4-1-13(2-5-15)18-8-7-17(26)10-20(18)27/h1-11,31H,12H2,(H2,28,29,32,33)/t24-/m0/s1.
What are the key properties of (5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 451.40 g/mol, XLogP of 4.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90791387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).