2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole

C16H18N4O2S2 — CID 110643444

IUPAC2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole
SMILESCc1nc2ccc(N3CCN(S(=O)(=O)c4cccs4)CC3)cc2[nH]1
InChIInChI=1S/C16H18N4O2S2/c1-12-17-14-5-4-13(11-15(14)18-12)19-6-8-20(9-7-19)24(21,22)16-3-2-10-23-16/h2-5,10-11H,6-9H2,1H3,(H,17,18)
InChIKeyPSOVVSLRKOVVSD-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.44
Rot. Bonds3

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

2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 110643444) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole
PubChem CID110643444
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC Name2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole
SMILESCc1nc2ccc(N3CCN(S(=O)(=O)c4cccs4)CC3)cc2[nH]1
InChIInChI=1S/C16H18N4O2S2/c1-12-17-14-5-4-13(11-15(14)18-12)19-6-8-20(9-7-19)24(21,22)16-3-2-10-23-16/h2-5,10-11H,6-9H2,1H3,(H,17,18)
InChIKeyPSOVVSLRKOVVSD-UHFFFAOYSA-N
XLogP2.44
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole
CID 110643427
2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole
CID 110643432
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole
CID 110643459
2-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 110643464
1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110643422
4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
CID 9161620
2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
CID 113078798
1-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylsulfonylpiperazine
CID 113079667
4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 26539778
(3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643374
(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643369

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole (CID 110643444) is 2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole is Cc1nc2ccc(N3CCN(S(=O)(=O)c4cccs4)CC3)cc2[nH]1.
What is the InChIKey of 2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is PSOVVSLRKOVVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-12-17-14-5-4-13(11-15(14)18-12)19-6-8-20(9-7-19)24(21,22)16-3-2-10-23-16/h2-5,10-11H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole?
2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 362.48 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 110643444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).