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

C18H12ClF2N3O3 — CID 11668295

IUPAC5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2F)N1
InChIInChI=1S/C18H12ClF2N3O3/c19-10-2-1-9-7-24(15(25)12(9)5-10)8-18(16(26)22-17(27)23-18)13-4-3-11(20)6-14(13)21/h1-6H,7-8H2,(H2,22,23,26,27)
InChIKeyAJJKDXWYFPYPSE-UHFFFAOYSA-N
MW391.76 g/mol
LogP2.31
Rot. Bonds3

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

5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione (PubChem CID 11668295) has the molecular formula C18H12ClF2N3O3 and a molecular weight of 391.76 g/mol. Its IUPAC name is 5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione
PubChem CID11668295
Molecular FormulaC18H12ClF2N3O3
Molecular Weight391.76 g/mol
Exact Mass391.05
IUPAC Name5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2F)N1
InChIInChI=1S/C18H12ClF2N3O3/c19-10-2-1-9-7-24(15(25)12(9)5-10)8-18(16(26)22-17(27)23-18)13-4-3-11(20)6-14(13)21/h1-6H,7-8H2,(H2,22,23,26,27)
InChIKeyAJJKDXWYFPYPSE-UHFFFAOYSA-N
XLogP2.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.76
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione (CID 11668295) is 5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione is O=C1NC(=O)C(CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2F)N1.
What is the InChIKey of 5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione?
The InChIKey is AJJKDXWYFPYPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O3/c19-10-2-1-9-7-24(15(25)12(9)5-10)8-18(16(26)22-17(27)23-18)13-4-3-11(20)6-14(13)21/h1-6H,7-8H2,(H2,22,23,26,27).
What are the key properties of 5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione?
5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione has a molecular weight of 391.76 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 11668295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).