6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole

C18H20N4O2S — CID 50923093

IUPAC6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole
SMILESCC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)[nH]c3c2)CC1
InChIInChI=1S/C18H20N4O2S/c1-13-7-10-22(11-8-13)25(23,24)14-5-6-15-17(12-14)21-18(20-15)16-4-2-3-9-19-16/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,20,21)
InChIKeySNGHNXOMSSABJP-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.05
Rot. Bonds3

About 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole

6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole (PubChem CID 50923093) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole
PubChem CID50923093
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole
SMILESCC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)[nH]c3c2)CC1
InChIInChI=1S/C18H20N4O2S/c1-13-7-10-22(11-8-13)25(23,24)14-5-6-15-17(12-14)21-18(20-15)16-4-2-3-9-19-16/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,20,21)
InChIKeySNGHNXOMSSABJP-UHFFFAOYSA-N
XLogP3.05
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
DB-02197
CID 5288527
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3c
CID 6539026
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
Sulfonamide deriv. 3e
CID 6539028
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10273854
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949704
N-Methyl-3-(9h-Purin-6-Ylamino)benzenesulfonamide
CID 54675470
4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
CID 137643315
4-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonyl-N-(3-methoxypropyl)pyridin-2-amine
CID 57392498

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole?
The IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole (CID 50923093) is 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole is CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)[nH]c3c2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole?
The InChIKey is SNGHNXOMSSABJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-13-7-10-22(11-8-13)25(23,24)14-5-6-15-17(12-14)21-18(20-15)16-4-2-3-9-19-16/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,20,21).
What are the key properties of 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole?
6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole has a molecular weight of 356.45 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-1H-benzimidazole is sourced from PubChem (CID 50923093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).