4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole

C13H12N2O2S2 — CID 82007690

IUPAC4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
SMILESCS(=O)(=O)c1cccc2[nH]c(Cc3cccs3)nc12
InChIInChI=1S/C13H12N2O2S2/c1-19(16,17)11-6-2-5-10-13(11)15-12(14-10)8-9-4-3-7-18-9/h2-7H,8H2,1H3,(H,14,15)
InChIKeyDXHMDKGRKYAKFD-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.62
Rot. Bonds3

About 4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole

4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole (PubChem CID 82007690) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
PubChem CID82007690
Molecular FormulaC13H12N2O2S2
Molecular Weight292.38 g/mol
Exact Mass292.03
IUPAC Name4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
SMILESCS(=O)(=O)c1cccc2[nH]c(Cc3cccs3)nc12
InChIInChI=1S/C13H12N2O2S2/c1-19(16,17)11-6-2-5-10-13(11)15-12(14-10)8-9-4-3-7-18-9/h2-7H,8H2,1H3,(H,14,15)
InChIKeyDXHMDKGRKYAKFD-UHFFFAOYSA-N
XLogP2.62
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
The IUPAC name of 4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole (CID 82007690) is 4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole is CS(=O)(=O)c1cccc2[nH]c(Cc3cccs3)nc12.
What is the InChIKey of 4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
The InChIKey is DXHMDKGRKYAKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-19(16,17)11-6-2-5-10-13(11)15-12(14-10)8-9-4-3-7-18-9/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole has a molecular weight of 292.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 82007690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).