2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole

C19H21N3O2S — CID 91946903

IUPAC2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole
SMILESO=S(=O)(Cc1ccccc1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H21N3O2S/c23-25(24,14-15-7-2-1-3-8-15)22-12-6-9-16(13-22)19-20-17-10-4-5-11-18(17)21-19/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,20,21)
InChIKeySNGOGDKWEJHQAK-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.27
Rot. Bonds4

About 2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole

2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole (PubChem CID 91946903) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole
PubChem CID91946903
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole
SMILESO=S(=O)(Cc1ccccc1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H21N3O2S/c23-25(24,14-15-7-2-1-3-8-15)22-12-6-9-16(13-22)19-20-17-10-4-5-11-18(17)21-19/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,20,21)
InChIKeySNGOGDKWEJHQAK-UHFFFAOYSA-N
XLogP3.27
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]-1H-benzimidazole
CID 110404129
3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide
CID 42936634
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole
CID 110404146
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine
CID 45212473
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline
CID 91946901
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
CID 18148631
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95896011
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
2-[1-(benzenesulfonyl)azetidin-3-yl]-1H-benzimidazole
CID 90505852
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one
CID 55483571

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole?
The IUPAC name of 2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole (CID 91946903) is 2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole is O=S(=O)(Cc1ccccc1)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole?
The InChIKey is SNGOGDKWEJHQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-25(24,14-15-7-2-1-3-8-15)22-12-6-9-16(13-22)19-20-17-10-4-5-11-18(17)21-19/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,20,21).
What are the key properties of 2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole?
2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole has a molecular weight of 355.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole is sourced from PubChem (CID 91946903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).