2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine

C22H26N4O2S — CID 95810677

IUPAC2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine
SMILESCc1ccccc1Cc1cccc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1
InChIInChI=1S/C22H26N4O2S/c1-17-6-3-4-7-19(17)14-20-8-5-9-21(24-20)18-10-12-26(13-11-18)29(27,28)22-15-25(2)16-23-22/h3-9,15-16,18H,10-14H2,1-2H3
InChIKeyWSTDKJBRSHALHR-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.28
Rot. Bonds5

About 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine

2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine (PubChem CID 95810677) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine.

Molecular Properties

Compound Name2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine
PubChem CID95810677
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine
SMILESCc1ccccc1Cc1cccc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1
InChIInChI=1S/C22H26N4O2S/c1-17-6-3-4-7-19(17)14-20-8-5-9-21(24-20)18-10-12-26(13-11-18)29(27,28)22-15-25(2)16-23-22/h3-9,15-16,18H,10-14H2,1-2H3
InChIKeyWSTDKJBRSHALHR-UHFFFAOYSA-N
XLogP3.28
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine?
The IUPAC name of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine (CID 95810677) is 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine.
What is the SMILES notation for 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine?
The canonical SMILES for 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine is Cc1ccccc1Cc1cccc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1.
What is the InChIKey of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine?
The InChIKey is WSTDKJBRSHALHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-17-6-3-4-7-19(17)14-20-8-5-9-21(24-20)18-10-12-26(13-11-18)29(27,28)22-15-25(2)16-23-22/h3-9,15-16,18H,10-14H2,1-2H3.
What are the key properties of 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine?
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine has a molecular weight of 410.54 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine is sourced from PubChem (CID 95810677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).