2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole

C19H21N3O2S — CID 1302040

IUPAC2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole
SMILESO=S(=O)(N1CCCCC1)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H21N3O2S/c23-25(24,21-13-7-2-8-14-21)22-18-12-6-5-11-17(18)20-19(22)15-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2
InChIKeyDWDQHAHMZCFXPO-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.21
Rot. Bonds4

About 2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole

2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole (PubChem CID 1302040) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole.

Molecular Properties

Compound Name2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole
PubChem CID1302040
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole
SMILESO=S(=O)(N1CCCCC1)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H21N3O2S/c23-25(24,21-13-7-2-8-14-21)22-18-12-6-5-11-17(18)20-19(22)15-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2
InChIKeyDWDQHAHMZCFXPO-UHFFFAOYSA-N
XLogP3.21
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole?
The IUPAC name of 2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole (CID 1302040) is 2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole.
What is the SMILES notation for 2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole?
The canonical SMILES for 2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole is O=S(=O)(N1CCCCC1)n1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole?
The InChIKey is DWDQHAHMZCFXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-25(24,21-13-7-2-8-14-21)22-18-12-6-5-11-17(18)20-19(22)15-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2.
What are the key properties of 2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole?
2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole has a molecular weight of 355.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-piperidin-1-ylsulfonylbenzimidazole is sourced from PubChem (CID 1302040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).