5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole

C15H10BrCl3N2 — CID 43666790

IUPAC5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole
SMILESClCCc1nc2cc(Br)ccc2n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10BrCl3N2/c16-9-1-4-14-13(7-9)20-15(5-6-17)21(14)10-2-3-11(18)12(19)8-10/h1-4,7-8H,5-6H2
InChIKeyZSZGFIQHXULFFB-UHFFFAOYSA-N
MW404.52 g/mol
LogP5.88
Rot. Bonds3

About 5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole

5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole (PubChem CID 43666790) has the molecular formula C15H10BrCl3N2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole
PubChem CID43666790
Molecular FormulaC15H10BrCl3N2
Molecular Weight404.52 g/mol
Exact Mass401.91
IUPAC Name5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole
SMILESClCCc1nc2cc(Br)ccc2n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10BrCl3N2/c16-9-1-4-14-13(7-9)20-15(5-6-17)21(14)10-2-3-11(18)12(19)8-10/h1-4,7-8H,5-6H2
InChIKeyZSZGFIQHXULFFB-UHFFFAOYSA-N
XLogP5.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
CID 43661710
2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole
CID 63546455
1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66109821
1-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081431
1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43666700
5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66088492
5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole
CID 43666840
1-(4-bromo-3-chlorophenyl)-2-(2-chloroethyl)-6-methylbenzimidazole
CID 107614232
6-bromo-3-(4-bromo-3-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 107614215
1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292367
5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole
CID 43667223
1-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43667361

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole?
The IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole (CID 43666790) is 5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole is ClCCc1nc2cc(Br)ccc2n1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole?
The InChIKey is ZSZGFIQHXULFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl3N2/c16-9-1-4-14-13(7-9)20-15(5-6-17)21(14)10-2-3-11(18)12(19)8-10/h1-4,7-8H,5-6H2.
What are the key properties of 5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole?
5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole has a molecular weight of 404.52 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole is sourced from PubChem (CID 43666790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).