4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile

C10H6BrN3O2 — CID 107841842

IUPAC4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile
SMILESN#Cc1ccc(Br)cc1N1C(=O)CNC1=O
InChIInChI=1S/C10H6BrN3O2/c11-7-2-1-6(4-12)8(3-7)14-9(15)5-13-10(14)16/h1-3H,5H2,(H,13,16)
InChIKeyNVBUDYZCGOOLSB-UHFFFAOYSA-N
MW280.08 g/mol
LogP1.38
Rot. Bonds1

About 4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile

4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile (PubChem CID 107841842) has the molecular formula C10H6BrN3O2 and a molecular weight of 280.08 g/mol. Its IUPAC name is 4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile
PubChem CID107841842
Molecular FormulaC10H6BrN3O2
Molecular Weight280.08 g/mol
Exact Mass278.96
IUPAC Name4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile
SMILESN#Cc1ccc(Br)cc1N1C(=O)CNC1=O
InChIInChI=1S/C10H6BrN3O2/c11-7-2-1-6(4-12)8(3-7)14-9(15)5-13-10(14)16/h1-3H,5H2,(H,13,16)
InChIKeyNVBUDYZCGOOLSB-UHFFFAOYSA-N
XLogP1.38
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 51.38
H-Bond Donors ≤ 51
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 4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile?
The IUPAC name of 4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile (CID 107841842) is 4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile.
What is the SMILES notation for 4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile?
The canonical SMILES for 4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile is N#Cc1ccc(Br)cc1N1C(=O)CNC1=O.
What is the InChIKey of 4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile?
The InChIKey is NVBUDYZCGOOLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O2/c11-7-2-1-6(4-12)8(3-7)14-9(15)5-13-10(14)16/h1-3H,5H2,(H,13,16).
What are the key properties of 4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile?
4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile has a molecular weight of 280.08 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,5-dioxoimidazolidin-1-yl)benzonitrile is sourced from PubChem (CID 107841842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).