2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole

C13H18N4O2S — CID 44783462

IUPAC2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole
SMILESCCS(=O)(=O)N1CCNCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O2S/c1-2-20(18,19)17-8-7-14-9-12(17)13-15-10-5-3-4-6-11(10)16-13/h3-6,12,14H,2,7-9H2,1H3,(H,15,16)
InChIKeyZLGSBADSSWITBG-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.86
Rot. Bonds3

About 2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole

2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole (PubChem CID 44783462) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole
PubChem CID44783462
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole
SMILESCCS(=O)(=O)N1CCNCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O2S/c1-2-20(18,19)17-8-7-14-9-12(17)13-15-10-5-3-4-6-11(10)16-13/h3-6,12,14H,2,7-9H2,1H3,(H,15,16)
InChIKeyZLGSBADSSWITBG-UHFFFAOYSA-N
XLogP0.86
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole (CID 44783462) is 2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole is CCS(=O)(=O)N1CCNCC1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole?
The InChIKey is ZLGSBADSSWITBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-20(18,19)17-8-7-14-9-12(17)13-15-10-5-3-4-6-11(10)16-13/h3-6,12,14H,2,7-9H2,1H3,(H,15,16).
What are the key properties of 2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole?
2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole has a molecular weight of 294.38 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole is sourced from PubChem (CID 44783462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).