2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole

C13H18N4O2S — CID 110643427

IUPAC2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole
SMILESCc1nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2[nH]1
InChIInChI=1S/C13H18N4O2S/c1-10-14-12-4-3-11(9-13(12)15-10)16-5-7-17(8-6-16)20(2,18)19/h3-4,9H,5-8H2,1-2H3,(H,14,15)
InChIKeyHAKOCODRXIKQCN-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.95
Rot. Bonds2

About 2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole

2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 110643427) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole
PubChem CID110643427
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole
SMILESCc1nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2[nH]1
InChIInChI=1S/C13H18N4O2S/c1-10-14-12-4-3-11(9-13(12)15-10)16-5-7-17(8-6-16)20(2,18)19/h3-4,9H,5-8H2,1-2H3,(H,14,15)
InChIKeyHAKOCODRXIKQCN-UHFFFAOYSA-N
XLogP0.95
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole
CID 110643432
2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole
CID 110643444
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole
CID 110643459
2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687
2-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 110643464
(3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643379
2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
CID 110643384
(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643369
N-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide
CID 110643395
6-(4-methylpiperazin-1-yl)-1H-benzimidazole-2-sulfonic acid
CID 87680464
(3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643374
3-[4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carbonyl]benzonitrile
CID 110643372

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole (CID 110643427) is 2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole is Cc1nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2[nH]1.
What is the InChIKey of 2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is HAKOCODRXIKQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10-14-12-4-3-11(9-13(12)15-10)16-5-7-17(8-6-16)20(2,18)19/h3-4,9H,5-8H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole?
2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 294.38 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 110643427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).