5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

C18H13F2N3O3 — CID 90853163

IUPAC5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3ccc(F)cc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H13F2N3O3/c19-12-5-2-11(3-6-12)18(16(25)21-17(26)22-18)9-23-8-10-1-4-13(20)7-14(10)15(23)24/h1-8,24H,9H2,(H2,21,22,25,26)
InChIKeyVVDUMQLVBGWCFI-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.36
Rot. Bonds3

About 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 90853163) has the molecular formula C18H13F2N3O3 and a molecular weight of 357.32 g/mol. Its IUPAC name is 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID90853163
Molecular FormulaC18H13F2N3O3
Molecular Weight357.32 g/mol
Exact Mass357.09
IUPAC Name5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3ccc(F)cc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H13F2N3O3/c19-12-5-2-11(3-6-12)18(16(25)21-17(26)22-18)9-23-8-10-1-4-13(20)7-14(10)15(23)24/h1-8,24H,9H2,(H2,21,22,25,26)
InChIKeyVVDUMQLVBGWCFI-UHFFFAOYSA-N
XLogP2.36
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.36
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-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 90853163) is 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is O=C1NC(=O)C(Cn2cc3ccc(F)cc3c2O)(c2ccc(F)cc2)N1.
What is the InChIKey of 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is VVDUMQLVBGWCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O3/c19-12-5-2-11(3-6-12)18(16(25)21-17(26)22-18)9-23-8-10-1-4-13(20)7-14(10)15(23)24/h1-8,24H,9H2,(H2,21,22,25,26).
What are the key properties of 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 357.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 90853163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).