6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole

C23H23N3O2S — CID 1430532

IUPAC6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole
SMILESCc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1
InChIInChI=1S/C23H23N3O2S/c1-16-6-9-21-22(14-16)25-23(24-21)18-10-12-26(13-11-18)29(27,28)20-8-7-17-4-2-3-5-19(17)15-20/h2-9,14-15,18H,10-13H2,1H3,(H,24,25)
InChIKeyFPFAZWFPKMXIPR-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.59
Rot. Bonds3

About 6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole

6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole (PubChem CID 1430532) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole
PubChem CID1430532
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole
SMILESCc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1
InChIInChI=1S/C23H23N3O2S/c1-16-6-9-21-22(14-16)25-23(24-21)18-10-12-26(13-11-18)29(27,28)20-8-7-17-4-2-3-5-19(17)15-20/h2-9,14-15,18H,10-13H2,1H3,(H,24,25)
InChIKeyFPFAZWFPKMXIPR-UHFFFAOYSA-N
XLogP4.59
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole (CID 1430532) is 6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole is Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole?
The InChIKey is FPFAZWFPKMXIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-16-6-9-21-22(14-16)25-23(24-21)18-10-12-26(13-11-18)29(27,28)20-8-7-17-4-2-3-5-19(17)15-20/h2-9,14-15,18H,10-13H2,1H3,(H,24,25).
What are the key properties of 6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole?
6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole has a molecular weight of 405.52 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazole is sourced from PubChem (CID 1430532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).