(5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C18H14FN3O4 — CID 46881611

IUPAC(5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3cc(O)ccc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H14FN3O4/c19-12-3-1-11(2-4-12)18(16(25)20-17(26)21-18)9-22-8-10-7-13(23)5-6-14(10)15(22)24/h1-7,23H,8-9H2,(H2,20,21,25,26)/t18-/m0/s1
InChIKeyFSTVBTPVQKBNHI-SFHVURJKSA-N
MW355.33 g/mol
LogP1.22
Rot. Bonds3

About (5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 46881611) has the molecular formula C18H14FN3O4 and a molecular weight of 355.33 g/mol. Its IUPAC name is (5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID46881611
Molecular FormulaC18H14FN3O4
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC Name(5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3cc(O)ccc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H14FN3O4/c19-12-3-1-11(2-4-12)18(16(25)20-17(26)21-18)9-22-8-10-7-13(23)5-6-14(10)15(22)24/h1-7,23H,8-9H2,(H2,20,21,25,26)/t18-/m0/s1
InChIKeyFSTVBTPVQKBNHI-SFHVURJKSA-N
XLogP1.22
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 51.22
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

5-Hydroxythalidomide
CID 5743568
(S)-2-(2,6-Dioxopiperidin-3-yl)-5-hydroxyisoindoline-1,3-dione
CID 44250311
(R)-5-((4-fluorophenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 17754304
(R)-5-((3-fluorophenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 17754779
(R)-5-(4-fluorophenyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 46845559
(R)-5-((2-fluorophenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52942483
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-((4-methoxyphenyl)ethynyl)imidazolidine-2,4-dione
CID 52947338
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(phenylethynyl)imidazolidine-2,4-dione
CID 52948549
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(m-tolylethynyl)imidazolidine-2,4-dione
CID 52949779
3-(5-hydroxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
(+/-)-5-((5-Methoxy-1-oxoisoindolin-2-yl)methyl)-5-phenylimidazolidine-2,4-dione
CID 11653224
(+/-)-5-((6-Methoxy-1-oxoisoindolin-2-yl)methyl)-5-methylimidazolidine-2,4-dione
CID 24888678

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 46881611) is (5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](CN2Cc3cc(O)ccc3C2=O)(c2ccc(F)cc2)N1.
What is the InChIKey of (5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is FSTVBTPVQKBNHI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H14FN3O4/c19-12-3-1-11(2-4-12)18(16(25)20-17(26)21-18)9-22-8-10-7-13(23)5-6-14(10)15(22)24/h1-7,23H,8-9H2,(H2,20,21,25,26)/t18-/m0/s1.
What are the key properties of (5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 355.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-fluorophenyl)-5-[(6-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46881611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).