1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole

C14H19N3O2S — CID 94179592

IUPAC1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole
SMILESCn1c([C@@H]2CCCCN2S(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C14H19N3O2S/c1-16-12-8-4-3-7-11(12)15-14(16)13-9-5-6-10-17(13)20(2,18)19/h3-4,7-8,13H,5-6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyAFKVSZOHWHMYFN-ZDUSSCGKSA-N
MW293.39 g/mol
LogP2.06
Rot. Bonds2

About 1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole

1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole (PubChem CID 94179592) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole
PubChem CID94179592
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole
SMILESCn1c([C@@H]2CCCCN2S(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C14H19N3O2S/c1-16-12-8-4-3-7-11(12)15-14(16)13-9-5-6-10-17(13)20(2,18)19/h3-4,7-8,13H,5-6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyAFKVSZOHWHMYFN-ZDUSSCGKSA-N
XLogP2.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 126949306
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1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole
CID 167934115
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571162
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571163
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 52536369
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 94640308
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91822619
(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 51966220
1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole
CID 61020903
1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 95723533

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole?
The IUPAC name of 1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole (CID 94179592) is 1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole?
The canonical SMILES for 1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole is Cn1c([C@@H]2CCCCN2S(C)(=O)=O)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole?
The InChIKey is AFKVSZOHWHMYFN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-16-12-8-4-3-7-11(12)15-14(16)13-9-5-6-10-17(13)20(2,18)19/h3-4,7-8,13H,5-6,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole?
1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole has a molecular weight of 293.39 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole is sourced from PubChem (CID 94179592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).