5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole

C15H21N3O2S — CID 10852265

IUPAC5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole
SMILESCc1cc2nc(CS(=O)(=O)N3CCCCC3)[nH]c2cc1C
InChIInChI=1S/C15H21N3O2S/c1-11-8-13-14(9-12(11)2)17-15(16-13)10-21(19,20)18-6-4-3-5-7-18/h8-9H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyBPUAGSWUWAECMY-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.50
Rot. Bonds3

About 5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole

5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole (PubChem CID 10852265) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole
PubChem CID10852265
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole
SMILESCc1cc2nc(CS(=O)(=O)N3CCCCC3)[nH]c2cc1C
InChIInChI=1S/C15H21N3O2S/c1-11-8-13-14(9-12(11)2)17-15(16-13)10-21(19,20)18-6-4-3-5-7-18/h8-9H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyBPUAGSWUWAECMY-UHFFFAOYSA-N
XLogP2.50
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole (CID 10852265) is 5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole is Cc1cc2nc(CS(=O)(=O)N3CCCCC3)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole?
The InChIKey is BPUAGSWUWAECMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-8-13-14(9-12(11)2)17-15(16-13)10-21(19,20)18-6-4-3-5-7-18/h8-9H,3-7,10H2,1-2H3,(H,16,17).
What are the key properties of 5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole?
5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole has a molecular weight of 307.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(piperidin-1-ylsulfonylmethyl)-1H-benzimidazole is sourced from PubChem (CID 10852265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).