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

C18H12BrF2N3O3 — CID 11568280

IUPAC5-(4-bromophenyl)-5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3cc(F)c(F)cc3C2=O)(c2ccc(Br)cc2)N1
InChIInChI=1S/C18H12BrF2N3O3/c19-11-3-1-10(2-4-11)18(16(26)22-17(27)23-18)8-24-7-9-5-13(20)14(21)6-12(9)15(24)25/h1-6H,7-8H2,(H2,22,23,26,27)
InChIKeyAFQOZCWSRZWIKG-UHFFFAOYSA-N
MW436.21 g/mol
LogP2.42
Rot. Bonds3

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

5-(4-bromophenyl)-5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 11568280) has the molecular formula C18H12BrF2N3O3 and a molecular weight of 436.21 g/mol. Its IUPAC name is 5-(4-bromophenyl)-5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromophenyl)-5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID11568280
Molecular FormulaC18H12BrF2N3O3
Molecular Weight436.21 g/mol
Exact Mass435.00
IUPAC Name5-(4-bromophenyl)-5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3cc(F)c(F)cc3C2=O)(c2ccc(Br)cc2)N1
InChIInChI=1S/C18H12BrF2N3O3/c19-11-3-1-10(2-4-11)18(16(26)22-17(27)23-18)8-24-7-9-5-13(20)14(21)6-12(9)15(24)25/h1-6H,7-8H2,(H2,22,23,26,27)
InChIKeyAFQOZCWSRZWIKG-UHFFFAOYSA-N
XLogP2.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.21
LogP ≤ 52.42
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-(4-bromophenyl)-5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-bromophenyl)-5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 11568280) is 5-(4-bromophenyl)-5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-bromophenyl)-5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-bromophenyl)-5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CN2Cc3cc(F)c(F)cc3C2=O)(c2ccc(Br)cc2)N1.
What is the InChIKey of 5-(4-bromophenyl)-5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is AFQOZCWSRZWIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF2N3O3/c19-11-3-1-10(2-4-11)18(16(26)22-17(27)23-18)8-24-7-9-5-13(20)14(21)6-12(9)15(24)25/h1-6H,7-8H2,(H2,22,23,26,27).
What are the key properties of 5-(4-bromophenyl)-5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
5-(4-bromophenyl)-5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 436.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-5-[(5,6-difluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 11568280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).