1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one

C14H19N3O2S — CID 172968692

IUPAC1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one
SMILESCS(=O)Cn1c(=O)n(C2CCNCC2)c2ccccc21
InChIInChI=1S/C14H19N3O2S/c1-20(19)10-16-12-4-2-3-5-13(12)17(14(16)18)11-6-8-15-9-7-11/h2-5,11,15H,6-10H2,1H3
InChIKeyJZRZYUQKANTIEI-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.06
Rot. Bonds3

About 1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one

1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one (PubChem CID 172968692) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one
PubChem CID172968692
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one
SMILESCS(=O)Cn1c(=O)n(C2CCNCC2)c2ccccc21
InChIInChI=1S/C14H19N3O2S/c1-20(19)10-16-12-4-2-3-5-13(12)17(14(16)18)11-6-8-15-9-7-11/h2-5,11,15H,6-10H2,1H3
InChIKeyJZRZYUQKANTIEI-UHFFFAOYSA-N
XLogP1.06
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one
CID 154396127
1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride
CID 18789484
2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde
CID 59708343
1-methyl-3-[(3S)-pyrrolidin-3-yl]benzimidazol-2-one
CID 162422973
5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride
CID 69190263
1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one
CID 141196674
5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one
CID 121389286
1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one
CID 123464550
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid
CID 130423889
1-piperidin-4-yl-3-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]benzimidazol-2-one
CID 155729617
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-ethylbenzimidazol-2-one;ethane
CID 142181733

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one?
The IUPAC name of 1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one (CID 172968692) is 1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one.
What is the SMILES notation for 1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one?
The canonical SMILES for 1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one is CS(=O)Cn1c(=O)n(C2CCNCC2)c2ccccc21.
What is the InChIKey of 1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one?
The InChIKey is JZRZYUQKANTIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-20(19)10-16-12-4-2-3-5-13(12)17(14(16)18)11-6-8-15-9-7-11/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one?
1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one has a molecular weight of 293.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfinylmethyl)-3-piperidin-4-ylbenzimidazol-2-one is sourced from PubChem (CID 172968692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).