5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile

C10H6BrN3O — CID 103124048

IUPAC5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile
SMILESN#Cc1cc(Br)ccc1-n1cc[nH]c1=O
InChIInChI=1S/C10H6BrN3O/c11-8-1-2-9(7(5-8)6-12)14-4-3-13-10(14)15/h1-5H,(H,13,15)
InChIKeyXNLGNWFOQQZREI-UHFFFAOYSA-N
MW264.08 g/mol
LogP1.80
Rot. Bonds1

About 5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile

5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile (PubChem CID 103124048) has the molecular formula C10H6BrN3O and a molecular weight of 264.08 g/mol. Its IUPAC name is 5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile.

Molecular Properties

Compound Name5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile
PubChem CID103124048
Molecular FormulaC10H6BrN3O
Molecular Weight264.08 g/mol
Exact Mass262.97
IUPAC Name5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile
SMILESN#Cc1cc(Br)ccc1-n1cc[nH]c1=O
InChIInChI=1S/C10H6BrN3O/c11-8-1-2-9(7(5-8)6-12)14-4-3-13-10(14)15/h1-5H,(H,13,15)
InChIKeyXNLGNWFOQQZREI-UHFFFAOYSA-N
XLogP1.80
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile?
The IUPAC name of 5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile (CID 103124048) is 5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile.
What is the SMILES notation for 5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile?
The canonical SMILES for 5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile is N#Cc1cc(Br)ccc1-n1cc[nH]c1=O.
What is the InChIKey of 5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile?
The InChIKey is XNLGNWFOQQZREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O/c11-8-1-2-9(7(5-8)6-12)14-4-3-13-10(14)15/h1-5H,(H,13,15).
What are the key properties of 5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile?
5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile has a molecular weight of 264.08 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-oxo-1H-imidazol-3-yl)benzonitrile is sourced from PubChem (CID 103124048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).