2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide

C23H28N4O3S — CID 26443914

IUPAC2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C23H28N4O3S/c1-17-10-11-19(31(29,30)26-13-6-3-7-14-26)16-20(17)23(28)24-12-15-27-18(2)25-21-8-4-5-9-22(21)27/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3,(H,24,28)
InChIKeyISWABHBGVOMEQS-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.26
Rot. Bonds6

About 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide

2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 26443914) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
PubChem CID26443914
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C23H28N4O3S/c1-17-10-11-19(31(29,30)26-13-6-3-7-14-26)16-20(17)23(28)24-12-15-27-18(2)25-21-8-4-5-9-22(21)27/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3,(H,24,28)
InChIKeyISWABHBGVOMEQS-UHFFFAOYSA-N
XLogP3.26
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 35800173
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 55389787
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850
2-methyl-N-(2-phenylsulfanylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 9482877
2-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26677034
2-methyl-5-piperidin-1-ylsulfonyl-N-prop-2-ynylbenzamide
CID 7997753
2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31789852
5-(azepan-1-ylsulfonyl)-N-(2-benzylsulfanylethyl)-2-methylbenzamide
CID 28590329
5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 55913591
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 27831858
2-hydroxy-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31848598

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide (CID 26443914) is 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCn1c(C)nc2ccccc21.
What is the InChIKey of 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ISWABHBGVOMEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-17-10-11-19(31(29,30)26-13-6-3-7-14-26)16-20(17)23(28)24-12-15-27-18(2)25-21-8-4-5-9-22(21)27/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3,(H,24,28).
What are the key properties of 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide?
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 440.57 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26443914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).