2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole

C15H13BrN2O2S — CID 589049

IUPAC2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole
SMILESO=S(=O)(CCc1nc2ccccc2[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O2S/c16-11-5-7-12(8-6-11)21(19,20)10-9-15-17-13-3-1-2-4-14(13)18-15/h1-8H,9-10H2,(H,17,18)
InChIKeyYJKIIGQBLOHKCF-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.34
Rot. Bonds4

About 2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole

2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole (PubChem CID 589049) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole
PubChem CID589049
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole
SMILESO=S(=O)(CCc1nc2ccccc2[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O2S/c16-11-5-7-12(8-6-11)21(19,20)10-9-15-17-13-3-1-2-4-14(13)18-15/h1-8H,9-10H2,(H,17,18)
InChIKeyYJKIIGQBLOHKCF-UHFFFAOYSA-N
XLogP3.34
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole (CID 589049) is 2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole is O=S(=O)(CCc1nc2ccccc2[nH]1)c1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole?
The InChIKey is YJKIIGQBLOHKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c16-11-5-7-12(8-6-11)21(19,20)10-9-15-17-13-3-1-2-4-14(13)18-15/h1-8H,9-10H2,(H,17,18).
What are the key properties of 2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole?
2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole has a molecular weight of 365.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole is sourced from PubChem (CID 589049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).