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

C21H15FN4O3S — CID 24889862

IUPAC5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccccn3)s2)N1
InChIInChI=1S/C21H15FN4O3S/c22-13-5-4-12-10-26(18(27)14(12)9-13)11-21(19(28)24-20(29)25-21)17-7-6-16(30-17)15-3-1-2-8-23-15/h1-9H,10-11H2,(H2,24,25,28,29)
InChIKeyIIORFJOWBIPBSI-UHFFFAOYSA-N
MW422.44 g/mol
LogP2.64
Rot. Bonds4

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

5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione (PubChem CID 24889862) has the molecular formula C21H15FN4O3S and a molecular weight of 422.44 g/mol. Its IUPAC name is 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione
PubChem CID24889862
Molecular FormulaC21H15FN4O3S
Molecular Weight422.44 g/mol
Exact Mass422.08
IUPAC Name5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccccn3)s2)N1
InChIInChI=1S/C21H15FN4O3S/c22-13-5-4-12-10-26(18(27)14(12)9-13)11-21(19(28)24-20(29)25-21)17-7-6-16(30-17)15-3-1-2-8-23-15/h1-9H,10-11H2,(H2,24,25,28,29)
InChIKeyIIORFJOWBIPBSI-UHFFFAOYSA-N
XLogP2.64
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione (CID 24889862) is 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione is O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccccn3)s2)N1.
What is the InChIKey of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione?
The InChIKey is IIORFJOWBIPBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O3S/c22-13-5-4-12-10-26(18(27)14(12)9-13)11-21(19(28)24-20(29)25-21)17-7-6-16(30-17)15-3-1-2-8-23-15/h1-9H,10-11H2,(H2,24,25,28,29).
What are the key properties of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione?
5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione has a molecular weight of 422.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 24889862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).