1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole

C18H20N4O2S — CID 91947112

IUPAC1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole
SMILESCn1c(C2CCCN(S(=O)(=O)c3cccnc3)C2)nc2ccccc21
InChIInChI=1S/C18H20N4O2S/c1-21-17-9-3-2-8-16(17)20-18(21)14-6-5-11-22(13-14)25(23,24)15-7-4-10-19-12-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3
InChIKeyNZYGOBRCBNXJAX-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.54
Rot. Bonds3

About 1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole

1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole (PubChem CID 91947112) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole
PubChem CID91947112
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole
SMILESCn1c(C2CCCN(S(=O)(=O)c3cccnc3)C2)nc2ccccc21
InChIInChI=1S/C18H20N4O2S/c1-21-17-9-3-2-8-16(17)20-18(21)14-6-5-11-22(13-14)25(23,24)15-7-4-10-19-12-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3
InChIKeyNZYGOBRCBNXJAX-UHFFFAOYSA-N
XLogP2.54
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one
CID 121117767
3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 83275870
2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine
CID 125024782
3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
CID 70716561
2-[(3R)-1-[(3,5-difluorophenyl)methylsulfonyl]piperidin-3-yl]-1-methylbenzimidazole
CID 92626585
1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 91946978
1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole
CID 75536049
3-(3-isocyanatopiperidin-1-yl)sulfonylpyridine
CID 24706355
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97268302
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole?
The IUPAC name of 1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole (CID 91947112) is 1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole?
The canonical SMILES for 1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole is Cn1c(C2CCCN(S(=O)(=O)c3cccnc3)C2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole?
The InChIKey is NZYGOBRCBNXJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-21-17-9-3-2-8-16(17)20-18(21)14-6-5-11-22(13-14)25(23,24)15-7-4-10-19-12-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3.
What are the key properties of 1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole?
1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole has a molecular weight of 356.45 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole is sourced from PubChem (CID 91947112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).