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

C23H17FN4O4 — CID 11604430

IUPAC5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc[nH]c3=O)cc2)N1
InChIInChI=1S/C23H17FN4O4/c24-16-8-5-14-11-28(20(30)18(14)10-16)12-23(21(31)26-22(32)27-23)15-6-3-13(4-7-15)17-2-1-9-25-19(17)29/h1-10H,11-12H2,(H,25,29)(H2,26,27,31,32)
InChIKeyLZARBPSZHNHACA-UHFFFAOYSA-N
MW432.41 g/mol
LogP1.87
Rot. Bonds4

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

5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 11604430) has the molecular formula C23H17FN4O4 and a molecular weight of 432.41 g/mol. Its IUPAC name is 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione
PubChem CID11604430
Molecular FormulaC23H17FN4O4
Molecular Weight432.41 g/mol
Exact Mass432.12
IUPAC Name5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc[nH]c3=O)cc2)N1
InChIInChI=1S/C23H17FN4O4/c24-16-8-5-14-11-28(20(30)18(14)10-16)12-23(21(31)26-22(32)27-23)15-6-3-13(4-7-15)17-2-1-9-25-19(17)29/h1-10H,11-12H2,(H,25,29)(H2,26,27,31,32)
InChIKeyLZARBPSZHNHACA-UHFFFAOYSA-N
XLogP1.87
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 51.87
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 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione (CID 11604430) is 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc[nH]c3=O)cc2)N1.
What is the InChIKey of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is LZARBPSZHNHACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O4/c24-16-8-5-14-11-28(20(30)18(14)10-16)12-23(21(31)26-22(32)27-23)15-6-3-13(4-7-15)17-2-1-9-25-19(17)29/h1-10H,11-12H2,(H,25,29)(H2,26,27,31,32).
What are the key properties of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione?
5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 432.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 11604430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).