2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole

C19H22N4O2S — CID 110643432

IUPAC2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc4nc(C)[nH]c4c3)CC2)cc1
InChIInChI=1S/C19H22N4O2S/c1-14-3-6-17(7-4-14)26(24,25)23-11-9-22(10-12-23)16-5-8-18-19(13-16)21-15(2)20-18/h3-8,13H,9-12H2,1-2H3,(H,20,21)
InChIKeyOTZNQLHAFAMXND-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.69
Rot. Bonds3

About 2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole

2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole (PubChem CID 110643432) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole
PubChem CID110643432
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc4nc(C)[nH]c4c3)CC2)cc1
InChIInChI=1S/C19H22N4O2S/c1-14-3-6-17(7-4-14)26(24,25)23-11-9-22(10-12-23)16-5-8-18-19(13-16)21-15(2)20-18/h3-8,13H,9-12H2,1-2H3,(H,20,21)
InChIKeyOTZNQLHAFAMXND-UHFFFAOYSA-N
XLogP2.69
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole
CID 110643427
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole
CID 110643459
2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole
CID 110643444
2-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 110643464
4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen
CID 142983845
2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687
1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113081406
4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 103597241
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-methylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 154576516
1-(3-chloro-4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113077138
2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
CID 110643384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole?
The IUPAC name of 2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole (CID 110643432) is 2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole is Cc1ccc(S(=O)(=O)N2CCN(c3ccc4nc(C)[nH]c4c3)CC2)cc1.
What is the InChIKey of 2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole?
The InChIKey is OTZNQLHAFAMXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-3-6-17(7-4-14)26(24,25)23-11-9-22(10-12-23)16-5-8-18-19(13-16)21-15(2)20-18/h3-8,13H,9-12H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole?
2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole has a molecular weight of 370.48 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 110643432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).