1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole

C21H14BrClN2O2S — CID 20967433

IUPAC1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole
SMILESO=S(=O)(c1ccc(Br)cc1)n1c(/C=C/c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C21H14BrClN2O2S/c22-16-10-12-17(13-11-16)28(26,27)25-20-8-4-3-7-19(20)24-21(25)14-9-15-5-1-2-6-18(15)23/h1-14H/b14-9+
InChIKeyHGGJNBBFKGEBGM-NTEUORMPSA-N
MW473.78 g/mol
LogP5.86
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole

1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole (PubChem CID 20967433) has the molecular formula C21H14BrClN2O2S and a molecular weight of 473.78 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole
PubChem CID20967433
Molecular FormulaC21H14BrClN2O2S
Molecular Weight473.78 g/mol
Exact Mass471.96
IUPAC Name1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole
SMILESO=S(=O)(c1ccc(Br)cc1)n1c(/C=C/c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C21H14BrClN2O2S/c22-16-10-12-17(13-11-16)28(26,27)25-20-8-4-3-7-19(20)24-21(25)14-9-15-5-1-2-6-18(15)23/h1-14H/b14-9+
InChIKeyHGGJNBBFKGEBGM-NTEUORMPSA-N
XLogP5.86
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.78
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole
CID 46253296
1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole
CID 3805871
1-(4-methylphenyl)sulfonyl-2-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]benzimidazole
CID 155531033
2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole
CID 122223410
1-(benzenesulfonyl)-2-methylbenzimidazole
CID 3468368
1-(4-cyclohexylphenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole
CID 20854185
1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole
CID 43813838
2-benzyl-1-(4-chlorophenyl)sulfonylbenzimidazole
CID 610174
2-(benzenesulfonyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]quinoxaline
CID 6082033
2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline
CID 93007793
3-[1-(4-bromophenyl)sulfonylindol-2-yl]prop-2-enoic acid
CID 67043803
2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole
CID 18878893

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole (CID 20967433) is 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole is O=S(=O)(c1ccc(Br)cc1)n1c(/C=C/c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole?
The InChIKey is HGGJNBBFKGEBGM-NTEUORMPSA-N. The full InChI is InChI=1S/C21H14BrClN2O2S/c22-16-10-12-17(13-11-16)28(26,27)25-20-8-4-3-7-19(20)24-21(25)14-9-15-5-1-2-6-18(15)23/h1-14H/b14-9+.
What are the key properties of 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole?
1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole has a molecular weight of 473.78 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole is sourced from PubChem (CID 20967433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).