5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole

C15H10Br2ClFN2 — CID 43667223

IUPAC5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole
SMILESFc1ccc(-n2c(CCCl)nc3cc(Br)ccc32)c(Br)c1
InChIInChI=1S/C15H10Br2ClFN2/c16-9-1-3-14-12(7-9)20-15(5-6-18)21(14)13-4-2-10(19)8-11(13)17/h1-4,7-8H,5-6H2
InChIKeyWUTSOMMBLPXWMX-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.47
Rot. Bonds3

About 5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole

5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole (PubChem CID 43667223) has the molecular formula C15H10Br2ClFN2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole
PubChem CID43667223
Molecular FormulaC15H10Br2ClFN2
Molecular Weight432.52 g/mol
Exact Mass429.89
IUPAC Name5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole
SMILESFc1ccc(-n2c(CCCl)nc3cc(Br)ccc32)c(Br)c1
InChIInChI=1S/C15H10Br2ClFN2/c16-9-1-3-14-12(7-9)20-15(5-6-18)21(14)13-4-2-10(19)8-11(13)17/h1-4,7-8H,5-6H2
InChIKeyWUTSOMMBLPXWMX-UHFFFAOYSA-N
XLogP5.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole 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

1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43667219
1-(2-bromo-5-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 107638080
5-bromo-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660511
1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43661001
1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115552908
1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 107637640
5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole
CID 43666840
5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole
CID 81275644
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole
CID 107601606
1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43660459
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
1-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081431

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole?
The IUPAC name of 5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole (CID 43667223) is 5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole.
What is the SMILES notation for 5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole?
The canonical SMILES for 5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole is Fc1ccc(-n2c(CCCl)nc3cc(Br)ccc32)c(Br)c1.
What is the InChIKey of 5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole?
The InChIKey is WUTSOMMBLPXWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClFN2/c16-9-1-3-14-12(7-9)20-15(5-6-18)21(14)13-4-2-10(19)8-11(13)17/h1-4,7-8H,5-6H2.
What are the key properties of 5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole?
5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole has a molecular weight of 432.52 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole is sourced from PubChem (CID 43667223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).