5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one

C15H20ClN3O3S — CID 121389286

IUPAC5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one
SMILESCS(=O)(=O)CCn1c(=O)n(C2CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C15H20ClN3O3S/c1-23(21,22)9-8-18-14-10-11(16)2-3-13(14)19(15(18)20)12-4-6-17-7-5-12/h2-3,10,12,17H,4-9H2,1H3
InChIKeyCOEGLJKRAFASCM-UHFFFAOYSA-N
MW357.86 g/mol
LogP1.43
Rot. Bonds4

About 5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one

5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one (PubChem CID 121389286) has the molecular formula C15H20ClN3O3S and a molecular weight of 357.86 g/mol. Its IUPAC name is 5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one
PubChem CID121389286
Molecular FormulaC15H20ClN3O3S
Molecular Weight357.86 g/mol
Exact Mass357.09
IUPAC Name5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one
SMILESCS(=O)(=O)CCn1c(=O)n(C2CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C15H20ClN3O3S/c1-23(21,22)9-8-18-14-10-11(16)2-3-13(14)19(15(18)20)12-4-6-17-7-5-12/h2-3,10,12,17H,4-9H2,1H3
InChIKeyCOEGLJKRAFASCM-UHFFFAOYSA-N
XLogP1.43
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid
CID 130423889
5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride
CID 69190263
1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one
CID 154396127
1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one
CID 172968692
6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571
5-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-piperidin-4-ylbenzimidazol-2-one
CID 155729973
3-chloro-6-fluoro-9-piperidin-4-ylcarbazole
CID 137447183
3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one
CID 72703564
1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one
CID 115591774
5-chloro-2-(chloromethyl)-1-(2-methylsulfonylethyl)benzimidazole
CID 54935133
3-[[7-chloro-4-(3-methylsulfonylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;ethane;propane
CID 144839567
6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923521

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one?
The IUPAC name of 5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one (CID 121389286) is 5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one?
The canonical SMILES for 5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one is CS(=O)(=O)CCn1c(=O)n(C2CCNCC2)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one?
The InChIKey is COEGLJKRAFASCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3S/c1-23(21,22)9-8-18-14-10-11(16)2-3-13(14)19(15(18)20)12-4-6-17-7-5-12/h2-3,10,12,17H,4-9H2,1H3.
What are the key properties of 5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one?
5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one has a molecular weight of 357.86 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one is sourced from PubChem (CID 121389286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).