1-(2,4-dibromophenyl)sulfonylbenzimidazole

C13H8Br2N2O2S — CID 2849375

IUPAC1-(2,4-dibromophenyl)sulfonylbenzimidazole
SMILESO=S(=O)(c1ccc(Br)cc1Br)n1cnc2ccccc21
InChIInChI=1S/C13H8Br2N2O2S/c14-9-5-6-13(10(15)7-9)20(18,19)17-8-16-11-3-1-2-4-12(11)17/h1-8H
InChIKeyIVHNZAWTCUEBHD-UHFFFAOYSA-N
MW416.09 g/mol
LogP3.80
Rot. Bonds2

About 1-(2,4-dibromophenyl)sulfonylbenzimidazole

1-(2,4-dibromophenyl)sulfonylbenzimidazole (PubChem CID 2849375) has the molecular formula C13H8Br2N2O2S and a molecular weight of 416.09 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)sulfonylbenzimidazole
PubChem CID2849375
Molecular FormulaC13H8Br2N2O2S
Molecular Weight416.09 g/mol
Exact Mass413.87
IUPAC Name1-(2,4-dibromophenyl)sulfonylbenzimidazole
SMILESO=S(=O)(c1ccc(Br)cc1Br)n1cnc2ccccc21
InChIInChI=1S/C13H8Br2N2O2S/c14-9-5-6-13(10(15)7-9)20(18,19)17-8-16-11-3-1-2-4-12(11)17/h1-8H
InChIKeyIVHNZAWTCUEBHD-UHFFFAOYSA-N
XLogP3.80
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.09
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole
CID 22200837
1-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzimidazole
CID 22200841
1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole
CID 22200842
4-(benzimidazol-1-ylsulfonyl)-2,1,3-benzothiadiazole
CID 6469171
1-(4-chlorophenyl)sulfonylbenzimidazole
CID 746713
1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole
CID 15943816
1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole
CID 91669949
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole
CID 91669948
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole
CID 6473069
1-(4-propylphenyl)sulfonylbenzimidazole
CID 22200833
1,4-bis[(2,4-dibromophenyl)sulfonyl]-1,4-diazepane
CID 21210164
N-(fluoromethyl)benzimidazole-1-sulfonamide
CID 152515511

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(2,4-dibromophenyl)sulfonylbenzimidazole (CID 2849375) is 1-(2,4-dibromophenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(2,4-dibromophenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(2,4-dibromophenyl)sulfonylbenzimidazole is O=S(=O)(c1ccc(Br)cc1Br)n1cnc2ccccc21.
What is the InChIKey of 1-(2,4-dibromophenyl)sulfonylbenzimidazole?
The InChIKey is IVHNZAWTCUEBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2O2S/c14-9-5-6-13(10(15)7-9)20(18,19)17-8-16-11-3-1-2-4-12(11)17/h1-8H.
What are the key properties of 1-(2,4-dibromophenyl)sulfonylbenzimidazole?
1-(2,4-dibromophenyl)sulfonylbenzimidazole has a molecular weight of 416.09 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)sulfonylbenzimidazole is sourced from PubChem (CID 2849375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).