8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline

C21H20N4O2S — CID 91946901

IUPAC8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C21H20N4O2S/c26-28(27,19-11-3-6-15-7-4-12-22-20(15)19)25-13-5-8-16(14-25)21-23-17-9-1-2-10-18(17)24-21/h1-4,6-7,9-12,16H,5,8,13-14H2,(H,23,24)
InChIKeySQQICPMHDGYNQB-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.68
Rot. Bonds3

About 8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline

8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline (PubChem CID 91946901) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline
PubChem CID91946901
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C21H20N4O2S/c26-28(27,19-11-3-6-15-7-4-12-22-20(15)19)25-13-5-8-16(14-25)21-23-17-9-1-2-10-18(17)24-21/h1-4,6-7,9-12,16H,5,8,13-14H2,(H,23,24)
InChIKeySQQICPMHDGYNQB-UHFFFAOYSA-N
XLogP3.68
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole
CID 110404146
2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole
CID 51596047
8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline
CID 121188658
2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole
CID 91946903
3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide
CID 42936634
2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 92577744
8-piperidin-1-ylsulfonylquinoline
CID 768759
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]-1H-benzimidazole
CID 110404129
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917

Frequently Asked Questions

What is the IUPAC name of 8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline (CID 91946901) is 8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline is O=S(=O)(c1cccc2cccnc12)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline?
The InChIKey is SQQICPMHDGYNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c26-28(27,19-11-3-6-15-7-4-12-22-20(15)19)25-13-5-8-16(14-25)21-23-17-9-1-2-10-18(17)24-21/h1-4,6-7,9-12,16H,5,8,13-14H2,(H,23,24).
What are the key properties of 8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline?
8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline has a molecular weight of 392.48 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline is sourced from PubChem (CID 91946901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).