5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile

C10H4BrClFN3 — CID 68792423

IUPAC5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile
SMILESN#Cc1nc(-c2c(F)cccc2Cl)[nH]c1Br
InChIInChI=1S/C10H4BrClFN3/c11-9-7(4-14)15-10(16-9)8-5(12)2-1-3-6(8)13/h1-3H,(H,15,16)
InChIKeyUBQVGLRLFZXGGY-UHFFFAOYSA-N
MW300.52 g/mol
LogP3.50
Rot. Bonds1

About 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile

5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile (PubChem CID 68792423) has the molecular formula C10H4BrClFN3 and a molecular weight of 300.52 g/mol. Its IUPAC name is 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile
PubChem CID68792423
Molecular FormulaC10H4BrClFN3
Molecular Weight300.52 g/mol
Exact Mass298.93
IUPAC Name5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile
SMILESN#Cc1nc(-c2c(F)cccc2Cl)[nH]c1Br
InChIInChI=1S/C10H4BrClFN3/c11-9-7(4-14)15-10(16-9)8-5(12)2-1-3-6(8)13/h1-3H,(H,15,16)
InChIKeyUBQVGLRLFZXGGY-UHFFFAOYSA-N
XLogP3.50
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile 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-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile?
The IUPAC name of 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile (CID 68792423) is 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile.
What is the SMILES notation for 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile?
The canonical SMILES for 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile is N#Cc1nc(-c2c(F)cccc2Cl)[nH]c1Br.
What is the InChIKey of 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile?
The InChIKey is UBQVGLRLFZXGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClFN3/c11-9-7(4-14)15-10(16-9)8-5(12)2-1-3-6(8)13/h1-3H,(H,15,16).
What are the key properties of 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile?
5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile has a molecular weight of 300.52 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile is sourced from PubChem (CID 68792423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).