1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole

C15H21N3O2S — CID 81456723

IUPAC1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole
SMILESCn1c(C2(C)CCNCC2)nc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C15H21N3O2S/c1-15(6-8-16-9-7-15)14-17-12-10-11(21(3,19)20)4-5-13(12)18(14)2/h4-5,10,16H,6-9H2,1-3H3
InChIKeyMFEWLNJNSWJPRS-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.62
Rot. Bonds2

About 1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole

1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole (PubChem CID 81456723) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole.

Molecular Properties

Compound Name1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole
PubChem CID81456723
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole
SMILESCn1c(C2(C)CCNCC2)nc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C15H21N3O2S/c1-15(6-8-16-9-7-15)14-17-12-10-11(21(3,19)20)4-5-13(12)18(14)2/h4-5,10,16H,6-9H2,1-3H3
InChIKeyMFEWLNJNSWJPRS-UHFFFAOYSA-N
XLogP1.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-1-methyl-5-methylsulfonylbenzimidazole
CID 70545396
1-methyl-5-methylsulfonyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 81456225
1-methyl-5-methylsulfonyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 81456118
1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine
CID 81455811
N-[1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 81456037
5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 63144326
5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983205
6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole
CID 113316558
4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride
CID 118515414
5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole
CID 63144452
5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983270
2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine
CID 104740752

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole?
The IUPAC name of 1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole (CID 81456723) is 1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole.
What is the SMILES notation for 1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole?
The canonical SMILES for 1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole is Cn1c(C2(C)CCNCC2)nc2cc(S(C)(=O)=O)ccc21.
What is the InChIKey of 1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole?
The InChIKey is MFEWLNJNSWJPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(6-8-16-9-7-15)14-17-12-10-11(21(3,19)20)4-5-13(12)18(14)2/h4-5,10,16H,6-9H2,1-3H3.
What are the key properties of 1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole?
1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole has a molecular weight of 307.42 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole is sourced from PubChem (CID 81456723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).