2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole

C21H13BrCl2N2O2S — CID 46253296

IUPAC2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)n1c(/C=C/c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C21H13BrCl2N2O2S/c22-15-5-3-4-14(12-15)8-11-21-25-18-6-1-2-7-19(18)26(21)29(27,28)20-13-16(23)9-10-17(20)24/h1-13H/b11-8+
InChIKeyFXNBSEHGBMKNHJ-DHZHZOJOSA-N
MW508.22 g/mol
LogP6.51
Rot. Bonds4

About 2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole

2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole (PubChem CID 46253296) has the molecular formula C21H13BrCl2N2O2S and a molecular weight of 508.22 g/mol. Its IUPAC name is 2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole
PubChem CID46253296
Molecular FormulaC21H13BrCl2N2O2S
Molecular Weight508.22 g/mol
Exact Mass505.93
IUPAC Name2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)n1c(/C=C/c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C21H13BrCl2N2O2S/c22-15-5-3-4-14(12-15)8-11-21-25-18-6-1-2-7-19(18)26(21)29(27,28)20-13-16(23)9-10-17(20)24/h1-13H/b11-8+
InChIKeyFXNBSEHGBMKNHJ-DHZHZOJOSA-N
XLogP6.51
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.22
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole 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-bromophenyl)sulfonyl-2-[(E)-2-(2-chlorophenyl)ethenyl]benzimidazole
CID 20967433
2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole
CID 4631571
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
2-methyl-1-(2-phenylethenylsulfonyl)benzimidazole
CID 5225576
2-[2-[(E)-2-(3-bromophenyl)ethenyl]-4-oxoquinazolin-3-yl]-N-(4-chlorophenyl)acetamide
CID 172991854
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 11702687
2-[(E)-2-(3-bromophenyl)ethenyl]quinoline
CID 5378705
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879525
2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 20966922
2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylbenzimidazole
CID 20854187
1-(2,5-dichlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
CID 6200212

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole?
The IUPAC name of 2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole (CID 46253296) is 2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole.
What is the SMILES notation for 2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole?
The canonical SMILES for 2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole is O=S(=O)(c1cc(Cl)ccc1Cl)n1c(/C=C/c2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of 2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole?
The InChIKey is FXNBSEHGBMKNHJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H13BrCl2N2O2S/c22-15-5-3-4-14(12-15)8-11-21-25-18-6-1-2-7-19(18)26(21)29(27,28)20-13-16(23)9-10-17(20)24/h1-13H/b11-8+.
What are the key properties of 2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole?
2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole has a molecular weight of 508.22 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole is sourced from PubChem (CID 46253296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).