4-(4-bromoimidazol-1-yl)benzonitrile

C10H6BrN3 — CID 66520701

IUPAC4-(4-bromoimidazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2cnc(Br)c2)cc1
InChIInChI=1S/C10H6BrN3/c11-10-6-14(7-13-10)9-3-1-8(5-12)2-4-9/h1-4,6-7H
InChIKeyVRQMELFJXPIGBS-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.51
Rot. Bonds1

About 4-(4-bromoimidazol-1-yl)benzonitrile

4-(4-bromoimidazol-1-yl)benzonitrile (PubChem CID 66520701) has the molecular formula C10H6BrN3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 4-(4-bromoimidazol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-bromoimidazol-1-yl)benzonitrile
PubChem CID66520701
Molecular FormulaC10H6BrN3
Molecular Weight248.08 g/mol
Exact Mass246.97
IUPAC Name4-(4-bromoimidazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2cnc(Br)c2)cc1
InChIInChI=1S/C10H6BrN3/c11-10-6-14(7-13-10)9-3-1-8(5-12)2-4-9/h1-4,6-7H
InChIKeyVRQMELFJXPIGBS-UHFFFAOYSA-N
XLogP2.51
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromoimidazol-1-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

Related Compounds

4-(4-propan-2-ylimidazol-1-yl)benzonitrile
CID 166589479
4-bromo-1-(4-chlorophenyl)imidazole
CID 66520703
4-bromo-1-(4-methylphenyl)imidazole
CID 66520738
4-(4-bromoimidazol-1-yl)pyridine
CID 66520801
4-bromo-1-(4-tert-butylphenyl)imidazole
CID 66520748
4-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)imidazol-1-yl]benzonitrile
CID 106523219
1-[4-(4-bromoimidazol-1-yl)phenyl]-4-methylpiperazine
CID 171101458
4-(4-bromoimidazol-1-yl)-2-chloroaniline
CID 155581370
3-(4-bromoimidazol-1-yl)pyridine
CID 66520793
4-[4-[4-(4-fluorophenyl)but-1-enyl]imidazol-1-yl]benzonitrile
CID 67577047
4-(4-bromoimidazol-1-yl)-2-fluoropyridine
CID 66520758
azane;benzene-1,4-dicarbonitrile
CID 174336566

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromoimidazol-1-yl)benzonitrile?
The IUPAC name of 4-(4-bromoimidazol-1-yl)benzonitrile (CID 66520701) is 4-(4-bromoimidazol-1-yl)benzonitrile.
What is the SMILES notation for 4-(4-bromoimidazol-1-yl)benzonitrile?
The canonical SMILES for 4-(4-bromoimidazol-1-yl)benzonitrile is N#Cc1ccc(-n2cnc(Br)c2)cc1.
What is the InChIKey of 4-(4-bromoimidazol-1-yl)benzonitrile?
The InChIKey is VRQMELFJXPIGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3/c11-10-6-14(7-13-10)9-3-1-8(5-12)2-4-9/h1-4,6-7H.
What are the key properties of 4-(4-bromoimidazol-1-yl)benzonitrile?
4-(4-bromoimidazol-1-yl)benzonitrile has a molecular weight of 248.08 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromoimidazol-1-yl)benzonitrile is sourced from PubChem (CID 66520701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).