5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione

C23H17FN4O4 — CID 90821653

IUPAC5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3ccc(F)cc3c2O)(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/h1-11,30H,12H2,(H,25,29)(H2,26,27,31,32)
InChIKeyAPHHZILKODDYNB-UHFFFAOYSA-N
MW432.41 g/mol
LogP2.58
Rot. Bonds4

About 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione

5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 90821653) has the molecular formula C23H17FN4O4 and a molecular weight of 432.41 g/mol. Its IUPAC name is 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione
PubChem CID90821653
Molecular FormulaC23H17FN4O4
Molecular Weight432.41 g/mol
Exact Mass432.12
IUPAC Name5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3ccc(F)cc3c2O)(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/h1-11,30H,12H2,(H,25,29)(H2,26,27,31,32)
InChIKeyAPHHZILKODDYNB-UHFFFAOYSA-N
XLogP2.58
TPSA116.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.58
H-Bond Donors ≤ 54
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-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione (CID 90821653) is 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione is O=C1NC(=O)C(Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccc[nH]c3=O)cc2)N1.
What is the InChIKey of 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is APHHZILKODDYNB-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/h1-11,30H,12H2,(H,25,29)(H2,26,27,31,32).
What are the key properties of 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione?
5-[(6-fluoro-1-hydroxyisoindol-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 2.58, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90821653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).