5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione

C23H19FN4O6 — CID 91090452

IUPAC5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(CC1(c3cc4c(o3)CCC3=C4CNC3=O)NC(=O)NC1=O)C2
InChIInChI=1S/C23H19FN4O6/c1-33-15-4-2-10-8-28(20(30)17(10)18(15)24)9-23(21(31)26-22(32)27-23)16-6-12-13-7-25-19(29)11(13)3-5-14(12)34-16/h2,4,6H,3,5,7-9H2,1H3,(H,25,29)(H2,26,27,31,32)
InChIKeyMASZHKBLMGOYPQ-UHFFFAOYSA-N
MW466.43 g/mol
LogP0.95
Rot. Bonds4

About 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione

5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione (PubChem CID 91090452) has the molecular formula C23H19FN4O6 and a molecular weight of 466.43 g/mol. Its IUPAC name is 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione
PubChem CID91090452
Molecular FormulaC23H19FN4O6
Molecular Weight466.43 g/mol
Exact Mass466.13
IUPAC Name5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(CC1(c3cc4c(o3)CCC3=C4CNC3=O)NC(=O)NC1=O)C2
InChIInChI=1S/C23H19FN4O6/c1-33-15-4-2-10-8-28(20(30)17(10)18(15)24)9-23(21(31)26-22(32)27-23)16-6-12-13-7-25-19(29)11(13)3-5-14(12)34-16/h2,4,6H,3,5,7-9H2,1H3,(H,25,29)(H2,26,27,31,32)
InChIKeyMASZHKBLMGOYPQ-UHFFFAOYSA-N
XLogP0.95
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione with MolForge

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Related Compounds

(R)-5-(4-fluorophenyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 46845559
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 58053678
(5S)-5-(1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58054076
(R)-5-(furan-2-yl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 46881609
(+/-)-5-((5-Methoxy-1-oxoisoindolin-2-yl)methyl)-5-phenylimidazolidine-2,4-dione
CID 11653224
(R)-5-((5-(cyclopropylmethoxy)-1-oxoisoindolin-2-yl)methyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 46881647
(R)-5-(4-(cyclopentyloxy)phenyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 49864868
(+/-)-5-((6-Fluoro-1-oxoisoindolin-2-yl)methyl)-5-(3-phenoxyphenyl)imidazolidine-2,4-dione
CID 49864941
5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione
CID 58041822
5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione
CID 58042154
5-[2-fluoro-4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 68043094
(R)-5-((5-(2-cyclohexylethoxy)-1-oxoisoindolin-2-yl)methyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 46881649

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione (CID 91090452) is 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(CC1(c3cc4c(o3)CCC3=C4CNC3=O)NC(=O)NC1=O)C2.
What is the InChIKey of 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione?
The InChIKey is MASZHKBLMGOYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O6/c1-33-15-4-2-10-8-28(20(30)17(10)18(15)24)9-23(21(31)26-22(32)27-23)16-6-12-13-7-25-19(29)11(13)3-5-14(12)34-16/h2,4,6H,3,5,7-9H2,1H3,(H,25,29)(H2,26,27,31,32).
What are the key properties of 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione?
5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione has a molecular weight of 466.43 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2,4,5-tetrahydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 91090452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).