6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole

C14H19N3O2S — CID 122608654

IUPAC6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole
SMILESCc1ccc2ncn(C3CCCN(S(C)(=O)=O)C3)c2c1
InChIInChI=1S/C14H19N3O2S/c1-11-5-6-13-14(8-11)17(10-15-13)12-4-3-7-16(9-12)20(2,18)19/h5-6,8,10,12H,3-4,7,9H2,1-2H3
InChIKeyNLYBXXGHMKEYTK-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.94
Rot. Bonds2

About 6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole

6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole (PubChem CID 122608654) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole.

Molecular Properties

Compound Name6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole
PubChem CID122608654
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole
SMILESCc1ccc2ncn(C3CCCN(S(C)(=O)=O)C3)c2c1
InChIInChI=1S/C14H19N3O2S/c1-11-5-6-13-14(8-11)17(10-15-13)12-4-3-7-16(9-12)20(2,18)19/h5-6,8,10,12H,3-4,7,9H2,1-2H3
InChIKeyNLYBXXGHMKEYTK-UHFFFAOYSA-N
XLogP1.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-pyridin-4-ylbenzimidazole
CID 168926461
dimethyl 5-[3-(benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate
CID 154859167
1-cyclopentyl-5,6-dimethylbenzimidazole
CID 115900464
N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 121193506
5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]benzaldehyde
CID 79612879
1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole
CID 141346102
1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543201
5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
CID 113088695
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
CID 47406249
5,6-dimethyl-1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylbenzimidazole
CID 3668875
3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid
CID 68611173

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole?
The IUPAC name of 6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole (CID 122608654) is 6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole.
What is the SMILES notation for 6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole?
The canonical SMILES for 6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole is Cc1ccc2ncn(C3CCCN(S(C)(=O)=O)C3)c2c1.
What is the InChIKey of 6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole?
The InChIKey is NLYBXXGHMKEYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-11-5-6-13-14(8-11)17(10-15-13)12-4-3-7-16(9-12)20(2,18)19/h5-6,8,10,12H,3-4,7,9H2,1-2H3.
What are the key properties of 6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole?
6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole has a molecular weight of 293.39 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole is sourced from PubChem (CID 122608654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).