1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole

C14H8BrCl2IN2 — CID 81274666

IUPAC1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole
SMILESClCc1nc2cc(I)ccc2n1-c1ccc(Cl)cc1Br
InChIInChI=1S/C14H8BrCl2IN2/c15-10-5-8(17)1-3-12(10)20-13-4-2-9(18)6-11(13)19-14(20)7-16/h1-6H,7H2
InChIKeyDFWIZAHLNLXICA-UHFFFAOYSA-N
MW481.95 g/mol
LogP5.78
Rot. Bonds2

About 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole

1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole (PubChem CID 81274666) has the molecular formula C14H8BrCl2IN2 and a molecular weight of 481.95 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole
PubChem CID81274666
Molecular FormulaC14H8BrCl2IN2
Molecular Weight481.95 g/mol
Exact Mass479.83
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole
SMILESClCc1nc2cc(I)ccc2n1-c1ccc(Cl)cc1Br
InChIInChI=1S/C14H8BrCl2IN2/c15-10-5-8(17)1-3-12(10)20-13-4-2-9(18)6-11(13)19-14(20)7-16/h1-6H,7H2
InChIKeyDFWIZAHLNLXICA-UHFFFAOYSA-N
XLogP5.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.95
LogP ≤ 55.78
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

5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole
CID 81275644
2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole
CID 66081223
1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 81280861
1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 107614154
2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole
CID 66082431
1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660921
1-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081431
1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
CID 81281428
5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole
CID 43659702
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43667219
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111785

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole (CID 81274666) is 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole is ClCc1nc2cc(I)ccc2n1-c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole?
The InChIKey is DFWIZAHLNLXICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2IN2/c15-10-5-8(17)1-3-12(10)20-13-4-2-9(18)6-11(13)19-14(20)7-16/h1-6H,7H2.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole?
1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole has a molecular weight of 481.95 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole is sourced from PubChem (CID 81274666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).