5-(1-benzofuran-2-yl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C20H14FN3O4 — CID 11639479

IUPAC5-(1-benzofuran-2-yl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2cc3ccccc3o2)N1
InChIInChI=1S/C20H14FN3O4/c21-13-6-5-12-9-24(17(25)14(12)8-13)10-20(18(26)22-19(27)23-20)16-7-11-3-1-2-4-15(11)28-16/h1-8H,9-10H2,(H2,22,23,26,27)
InChIKeyUMDLECHMOGKMQD-UHFFFAOYSA-N
MW379.35 g/mol
LogP2.26
Rot. Bonds3

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

5-(1-benzofuran-2-yl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 11639479) has the molecular formula C20H14FN3O4 and a molecular weight of 379.35 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID11639479
Molecular FormulaC20H14FN3O4
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC Name5-(1-benzofuran-2-yl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2cc3ccccc3o2)N1
InChIInChI=1S/C20H14FN3O4/c21-13-6-5-12-9-24(17(25)14(12)8-13)10-20(18(26)22-19(27)23-20)16-7-11-3-1-2-4-15(11)28-16/h1-8H,9-10H2,(H2,22,23,26,27)
InChIKeyUMDLECHMOGKMQD-UHFFFAOYSA-N
XLogP2.26
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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-((6-Fluoro-1-oxoisoindolin-2-yl)methyl)-5-(2-phenoxyphenyl)imidazolidine-2,4-dione
CID 49864940
(+/-)-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-(1-Benzofuran-2-yl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
CID 71585450
5-(1-Benzofuran-2-yl)-5-[(3-chloro-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
CID 89628388
5-(1-Benzofuran-2-yl)-5-methylimidazolidine-2,4-dione
CID 16226790
N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 17519291
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24605844

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(1-benzofuran-2-yl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 11639479) is 5-(1-benzofuran-2-yl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(1-benzofuran-2-yl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2cc3ccccc3o2)N1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is UMDLECHMOGKMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O4/c21-13-6-5-12-9-24(17(25)14(12)8-13)10-20(18(26)22-19(27)23-20)16-7-11-3-1-2-4-15(11)28-16/h1-8H,9-10H2,(H2,22,23,26,27).
What are the key properties of 5-(1-benzofuran-2-yl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
5-(1-benzofuran-2-yl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 379.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 11639479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).