5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

C18H12Cl2FN3O3 — CID 11611199

IUPAC5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3cc(Cl)c(Cl)cc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H12Cl2FN3O3/c19-13-5-9-7-24(15(25)12(9)6-14(13)20)8-18(16(26)22-17(27)23-18)10-1-3-11(21)4-2-10/h1-6H,7-8H2,(H2,22,23,26,27)
InChIKeyUNXDKNZTURILRT-UHFFFAOYSA-N
MW408.22 g/mol
LogP2.82
Rot. Bonds3

About 5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 11611199) has the molecular formula C18H12Cl2FN3O3 and a molecular weight of 408.22 g/mol. Its IUPAC name is 5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID11611199
Molecular FormulaC18H12Cl2FN3O3
Molecular Weight408.22 g/mol
Exact Mass407.02
IUPAC Name5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3cc(Cl)c(Cl)cc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H12Cl2FN3O3/c19-13-5-9-7-24(15(25)12(9)6-14(13)20)8-18(16(26)22-17(27)23-18)10-1-3-11(21)4-2-10/h1-6H,7-8H2,(H2,22,23,26,27)
InChIKeyUNXDKNZTURILRT-UHFFFAOYSA-N
XLogP2.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 46844314
9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
CID 11270509
5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione
CID 11668295
(+/-)-5-((5-Chloro-1-oxoisoindolin-2-yl)methyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 11675173
9b-(4-chlorophenyl)-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one
CID 2999410
5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46881430
5-(4-Chlorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 155530708
5-Chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 14696602
5-(4-Chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 4810112
3-(3,4-Dichloro-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionamide
CID 9907022
6-Chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 10038466
5,6-Dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 11779471

Frequently Asked Questions

What is the IUPAC name of 5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 11611199) is 5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is O=C1NC(=O)C(CN2Cc3cc(Cl)c(Cl)cc3C2=O)(c2ccc(F)cc2)N1.
What is the InChIKey of 5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is UNXDKNZTURILRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FN3O3/c19-13-5-9-7-24(15(25)12(9)6-14(13)20)8-18(16(26)22-17(27)23-18)10-1-3-11(21)4-2-10/h1-6H,7-8H2,(H2,22,23,26,27).
What are the key properties of 5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 408.22 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,6-dichloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 11611199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).