2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone

C16H21N3O3S — CID 934575

IUPAC2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
SMILESCCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C16H21N3O3S/c1-2-23(21,22)16-17-13-8-4-5-9-14(13)19(16)12-15(20)18-10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyQPDOIAKABYIGBE-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.84
Rot. Bonds4

About 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone

2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone (PubChem CID 934575) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
PubChem CID934575
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
SMILESCCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C16H21N3O3S/c1-2-23(21,22)16-17-13-8-4-5-9-14(13)19(16)12-15(20)18-10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyQPDOIAKABYIGBE-UHFFFAOYSA-N
XLogP1.84
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone (CID 934575) is 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone is CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is QPDOIAKABYIGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-2-23(21,22)16-17-13-8-4-5-9-14(13)19(16)12-15(20)18-10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12H2,1H3.
What are the key properties of 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone?
2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 335.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 934575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).