1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole

C13H18N2O2S — CID 79762327

IUPAC1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole
SMILESCCS(=O)(=O)CCCn1c(C)nc2ccccc21
InChIInChI=1S/C13H18N2O2S/c1-3-18(16,17)10-6-9-15-11(2)14-12-7-4-5-8-13(12)15/h4-5,7-8H,3,6,9-10H2,1-2H3
InChIKeyLOXWBHKXYIWHFF-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.17
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole

1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole (PubChem CID 79762327) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole
PubChem CID79762327
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole
SMILESCCS(=O)(=O)CCCn1c(C)nc2ccccc21
InChIInChI=1S/C13H18N2O2S/c1-3-18(16,17)10-6-9-15-11(2)14-12-7-4-5-8-13(12)15/h4-5,7-8H,3,6,9-10H2,1-2H3
InChIKeyLOXWBHKXYIWHFF-UHFFFAOYSA-N
XLogP2.17
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(3-methylsulfonylpropyl)benzimidazole
CID 79760730
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
2-[1-(3-ethylsulfonylpropyl)benzimidazol-2-yl]ethanethioamide
CID 65096873
2-[2-[2-(2-methylbenzimidazol-1-yl)ethylsulfonyl]ethyl]isoindole-1,3-dione
CID 70329737
6-(2-methylbenzimidazol-1-yl)hexanal
CID 169157761
4-(2-methylbenzimidazol-1-yl)butanenitrile
CID 24690449
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
3-(2-methylbenzimidazol-1-yl)propanal
CID 63041699
1-(3-benzylsulfonylpropyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
CID 111353229
4-(2-methylbenzimidazol-1-yl)butanethioamide
CID 24696929

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole (CID 79762327) is 1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole is CCS(=O)(=O)CCCn1c(C)nc2ccccc21.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole?
The InChIKey is LOXWBHKXYIWHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-18(16,17)10-6-9-15-11(2)14-12-7-4-5-8-13(12)15/h4-5,7-8H,3,6,9-10H2,1-2H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole?
1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole has a molecular weight of 266.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole is sourced from PubChem (CID 79762327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).