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

C22H17BrN2O2S2 — CID 15990863

IUPAC1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole
SMILESCSc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H17BrN2O2S2/c1-28-18-11-6-16(7-12-18)8-15-22-24-20-4-2-3-5-21(20)25(22)29(26,27)19-13-9-17(23)10-14-19/h2-15H,1H3/b15-8+
InChIKeyJIRGMCNPEXZBHX-OVCLIPMQSA-N
MW485.43 g/mol
LogP5.93
Rot. Bonds5

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

1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole (PubChem CID 15990863) has the molecular formula C22H17BrN2O2S2 and a molecular weight of 485.43 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole
PubChem CID15990863
Molecular FormulaC22H17BrN2O2S2
Molecular Weight485.43 g/mol
Exact Mass483.99
IUPAC Name1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole
SMILESCSc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H17BrN2O2S2/c1-28-18-11-6-16(7-12-18)8-15-22-24-20-4-2-3-5-21(20)25(22)29(26,27)19-13-9-17(23)10-14-19/h2-15H,1H3/b15-8+
InChIKeyJIRGMCNPEXZBHX-OVCLIPMQSA-N
XLogP5.93
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.43
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine
CID 1088438
2-{2-[(4-methylphenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 685518
2-Methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 755364
3-(2-{2-[(4-methylphenyl)sulfonyl]ethyl}-1H-benzimidazol-1-yl)propanenitrile
CID 2925354
1-(4-Fluoro-3-methylbenzenesulfonyl)-2-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1H-1,3-benzodiazole
CID 16034073
N-Cyclohexyl-N-methyl-4-(2-methyl-benzoimidazol-1-ylmethyl)-benzenesulfonamide
CID 44284466
2-(3-Methyl-piperidin-1-ylmethyl)-1-(toluene-4-sulfonyl)-1H-benzoimidazole
CID 3217760
allyl 1-[(4-methylphenyl)sulfonyl]-1H-benzimidazol-2-yl sulfide
CID 4642224
N-[(4-fluorophenyl)(2-methyl-1H-benzimidazol-1-yl)methylene]-4-methylbenzenesulfonamide
CID 9587702
1-(3-Chlorobenzenesulfonyl)-2-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1H-1,3-benzodiazole
CID 15990865
1-(4-Bromobenzenesulfonyl)-2-[(1E)-2-(4-methylphenyl)ethenyl]-1H-1,3-benzodiazole
CID 16034349
2-(1-((4-bromophenyl)sulfonyl)piperidin-4-yl)-1H-benzo[d]imidazole
CID 16582831

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole (CID 15990863) is 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole is CSc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole?
The InChIKey is JIRGMCNPEXZBHX-OVCLIPMQSA-N. The full InChI is InChI=1S/C22H17BrN2O2S2/c1-28-18-11-6-16(7-12-18)8-15-22-24-20-4-2-3-5-21(20)25(22)29(26,27)19-13-9-17(23)10-14-19/h2-15H,1H3/b15-8+.
What are the key properties of 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole?
1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole has a molecular weight of 485.43 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzimidazole is sourced from PubChem (CID 15990863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).