5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole

C15H11BrClIN2 — CID 43666840

IUPAC5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole
SMILESClCCc1nc2cc(Br)ccc2n1-c1ccccc1I
InChIInChI=1S/C15H11BrClIN2/c16-10-5-6-14-12(9-10)19-15(7-8-17)20(14)13-4-2-1-3-11(13)18/h1-6,9H,7-8H2
InChIKeyJZDVYNKSLFXTMB-UHFFFAOYSA-N
MW461.53 g/mol
LogP5.17
Rot. Bonds3

About 5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole

5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole (PubChem CID 43666840) has the molecular formula C15H11BrClIN2 and a molecular weight of 461.53 g/mol. Its IUPAC name is 5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole
PubChem CID43666840
Molecular FormulaC15H11BrClIN2
Molecular Weight461.53 g/mol
Exact Mass459.88
IUPAC Name5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole
SMILESClCCc1nc2cc(Br)ccc2n1-c1ccccc1I
InChIInChI=1S/C15H11BrClIN2/c16-10-5-6-14-12(9-10)19-15(7-8-17)20(14)13-4-2-1-3-11(13)18/h1-6,9H,7-8H2
InChIKeyJZDVYNKSLFXTMB-UHFFFAOYSA-N
XLogP5.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081431
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081437
5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole
CID 43667223
1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 43666818
5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole
CID 43666790
2-(chloromethyl)-1-(2-iodophenyl)benzimidazole
CID 29075912
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43806442
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole
CID 107601606
2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]benzonitrile
CID 43660555
1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43666812
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
CID 66088269
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylphenyl)benzimidazole
CID 65344841

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole?
The IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole (CID 43666840) is 5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole is ClCCc1nc2cc(Br)ccc2n1-c1ccccc1I.
What is the InChIKey of 5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole?
The InChIKey is JZDVYNKSLFXTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClIN2/c16-10-5-6-14-12(9-10)19-15(7-8-17)20(14)13-4-2-1-3-11(13)18/h1-6,9H,7-8H2.
What are the key properties of 5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole?
5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole has a molecular weight of 461.53 g/mol, XLogP of 5.17, 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-(2-iodophenyl)benzimidazole is sourced from PubChem (CID 43666840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).