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

C23H19BrN2O3S — CID 15990859

IUPAC1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole
SMILESCCOc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H19BrN2O3S/c1-2-29-19-12-7-17(8-13-19)9-16-23-25-21-5-3-4-6-22(21)26(23)30(27,28)20-14-10-18(24)11-15-20/h3-16H,2H2,1H3/b16-9+
InChIKeyXWNZXFSTDKNKCF-CXUHLZMHSA-N
MW483.39 g/mol
LogP5.60
Rot. Bonds6

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

1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole (PubChem CID 15990859) has the molecular formula C23H19BrN2O3S and a molecular weight of 483.39 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole
PubChem CID15990859
Molecular FormulaC23H19BrN2O3S
Molecular Weight483.39 g/mol
Exact Mass482.03
IUPAC Name1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole
SMILESCCOc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H19BrN2O3S/c1-2-29-19-12-7-17(8-13-19)9-16-23-25-21-5-3-4-6-22(21)26(23)30(27,28)20-14-10-18(24)11-15-20/h3-16H,2H2,1H3/b16-9+
InChIKeyXWNZXFSTDKNKCF-CXUHLZMHSA-N
XLogP5.60
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.39
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole (CID 15990859) is 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole is CCOc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole?
The InChIKey is XWNZXFSTDKNKCF-CXUHLZMHSA-N. The full InChI is InChI=1S/C23H19BrN2O3S/c1-2-29-19-12-7-17(8-13-19)9-16-23-25-21-5-3-4-6-22(21)26(23)30(27,28)20-14-10-18(24)11-15-20/h3-16H,2H2,1H3/b16-9+.
What are the key properties of 1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole?
1-(4-bromophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole has a molecular weight of 483.39 g/mol, XLogP of 5.60, 6 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-ethoxyphenyl)ethenyl]benzimidazole is sourced from PubChem (CID 15990859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).