2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole

C12H9BrN2O2S2 — CID 82007684

IUPAC2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1cccc2[nH]c(-c3ccc(Br)s3)nc12
InChIInChI=1S/C12H9BrN2O2S2/c1-19(16,17)9-4-2-3-7-11(9)15-12(14-7)8-5-6-10(13)18-8/h2-6H,1H3,(H,14,15)
InChIKeyDJPAAWXNSXOIQL-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.46
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole

2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole (PubChem CID 82007684) has the molecular formula C12H9BrN2O2S2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole
PubChem CID82007684
Molecular FormulaC12H9BrN2O2S2
Molecular Weight357.25 g/mol
Exact Mass355.93
IUPAC Name2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1cccc2[nH]c(-c3ccc(Br)s3)nc12
InChIInChI=1S/C12H9BrN2O2S2/c1-19(16,17)9-4-2-3-7-11(9)15-12(14-7)8-5-6-10(13)18-8/h2-6H,1H3,(H,14,15)
InChIKeyDJPAAWXNSXOIQL-UHFFFAOYSA-N
XLogP3.46
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole (CID 82007684) is 2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole is CS(=O)(=O)c1cccc2[nH]c(-c3ccc(Br)s3)nc12.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole?
The InChIKey is DJPAAWXNSXOIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2S2/c1-19(16,17)9-4-2-3-7-11(9)15-12(14-7)8-5-6-10(13)18-8/h2-6H,1H3,(H,14,15).
What are the key properties of 2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole?
2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole has a molecular weight of 357.25 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole is sourced from PubChem (CID 82007684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).