2-benzyl-6-methylsulfonyl-1H-benzimidazole

C15H14N2O2S — CID 62067786

IUPAC2-benzyl-6-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C15H14N2O2S/c1-20(18,19)12-7-8-13-14(10-12)17-15(16-13)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyYRJWQGQIGHEMPB-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.56
Rot. Bonds3

About 2-benzyl-6-methylsulfonyl-1H-benzimidazole

2-benzyl-6-methylsulfonyl-1H-benzimidazole (PubChem CID 62067786) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-benzyl-6-methylsulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name2-benzyl-6-methylsulfonyl-1H-benzimidazole
PubChem CID62067786
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-benzyl-6-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C15H14N2O2S/c1-20(18,19)12-7-8-13-14(10-12)17-15(16-13)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyYRJWQGQIGHEMPB-UHFFFAOYSA-N
XLogP2.56
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-6-(chloromethylsulfonyl)-1H-benzimidazole
CID 13403147
2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine
CID 64671829
2-(3-methylbutyl)-6-methylsulfonyl-1H-benzimidazole
CID 62068084
methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686
1-[(6-methylsulfonyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846343
ethane;N-[2-[4-[(6-methylsulfonyl-1H-benzimidazol-2-yl)methyl]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 143208094
2-[chloro(phenyl)methyl]-6-methylsulfonyl-1H-benzimidazole
CID 62067934
ethyl 6-methylsulfonyl-1H-benzimidazole-2-carboxylate
CID 63357941
2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 139799496
2-benzyl-5,6-dimethoxy-1H-benzimidazole
CID 39158335
2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067938
[6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol
CID 1080107

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methylsulfonyl-1H-benzimidazole?
The IUPAC name of 2-benzyl-6-methylsulfonyl-1H-benzimidazole (CID 62067786) is 2-benzyl-6-methylsulfonyl-1H-benzimidazole.
What is the SMILES notation for 2-benzyl-6-methylsulfonyl-1H-benzimidazole?
The canonical SMILES for 2-benzyl-6-methylsulfonyl-1H-benzimidazole is CS(=O)(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-benzyl-6-methylsulfonyl-1H-benzimidazole?
The InChIKey is YRJWQGQIGHEMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-20(18,19)12-7-8-13-14(10-12)17-15(16-13)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,17).
What are the key properties of 2-benzyl-6-methylsulfonyl-1H-benzimidazole?
2-benzyl-6-methylsulfonyl-1H-benzimidazole has a molecular weight of 286.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methylsulfonyl-1H-benzimidazole is sourced from PubChem (CID 62067786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).