2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole

C18H19N3O2S — CID 101077984

IUPAC2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole
SMILESO=S(=O)(c1ccc(-c2nc3ccccc3[nH]2)cc1)N1CCCCC1
InChIInChI=1S/C18H19N3O2S/c22-24(23,21-12-4-1-5-13-21)15-10-8-14(9-11-15)18-19-16-6-2-3-7-17(16)20-18/h2-3,6-11H,1,4-5,12-13H2,(H,19,20)
InChIKeyQSBJCBJTTKCHDG-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.40
Rot. Bonds3

About 2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole

2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole (PubChem CID 101077984) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole
PubChem CID101077984
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole
SMILESO=S(=O)(c1ccc(-c2nc3ccccc3[nH]2)cc1)N1CCCCC1
InChIInChI=1S/C18H19N3O2S/c22-24(23,21-12-4-1-5-13-21)15-10-8-14(9-11-15)18-19-16-6-2-3-7-17(16)20-18/h2-3,6-11H,1,4-5,12-13H2,(H,19,20)
InChIKeyQSBJCBJTTKCHDG-UHFFFAOYSA-N
XLogP3.40
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 26264651
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 3481507
4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole
CID 103597254
(Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-piperidin-1-ylsulfonylphenyl)prop-2-enenitrile
CID 135458298
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 39911760
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90505755
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;ethane;2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid
CID 145332196
2-[5-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-4-yl]-1H-benzimidazole
CID 3558151
[4-(azepan-1-ylsulfonyl)phenyl]-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 55453578
4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide
CID 101078161
4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 103597241

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole?
The IUPAC name of 2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole (CID 101077984) is 2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole is O=S(=O)(c1ccc(-c2nc3ccccc3[nH]2)cc1)N1CCCCC1.
What is the InChIKey of 2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole?
The InChIKey is QSBJCBJTTKCHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-24(23,21-12-4-1-5-13-21)15-10-8-14(9-11-15)18-19-16-6-2-3-7-17(16)20-18/h2-3,6-11H,1,4-5,12-13H2,(H,19,20).
What are the key properties of 2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole?
2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole has a molecular weight of 341.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole is sourced from PubChem (CID 101077984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).