2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole

C14H19N3O2S — CID 4626342

IUPAC2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
SMILESCCS(=O)(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H19N3O2S/c1-2-20(18,19)17-9-7-11(8-10-17)14-15-12-5-3-4-6-13(12)16-14/h3-6,11H,2,7-10H2,1H3,(H,15,16)
InChIKeyNOXDQFBDCLQGNW-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.09
Rot. Bonds3

About 2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole

2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole (PubChem CID 4626342) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
PubChem CID4626342
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
SMILESCCS(=O)(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H19N3O2S/c1-2-20(18,19)17-9-7-11(8-10-17)14-15-12-5-3-4-6-13(12)16-14/h3-6,11H,2,7-10H2,1H3,(H,15,16)
InChIKeyNOXDQFBDCLQGNW-UHFFFAOYSA-N
XLogP2.09
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
CID 18148631
2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole
CID 131934260
2-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582851
2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18268675
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 24685775
ethyl (3S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylpiperidine-3-carboxylate
CID 25330284
3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide
CID 42936634
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836
2-[1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 112807240
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18575330
5-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 172895773

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole (CID 4626342) is 2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole is CCS(=O)(=O)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole?
The InChIKey is NOXDQFBDCLQGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-20(18,19)17-9-7-11(8-10-17)14-15-12-5-3-4-6-13(12)16-14/h3-6,11H,2,7-10H2,1H3,(H,15,16).
What are the key properties of 2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole?
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole has a molecular weight of 293.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole is sourced from PubChem (CID 4626342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).