1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole

C19H22N4O4S — CID 46203084

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole
SMILESCOc1ccc(OC)c(S(=O)(=O)n2cnc3c(N4CCNCC4)cccc32)c1
InChIInChI=1S/C19H22N4O4S/c1-26-14-6-7-17(27-2)18(12-14)28(24,25)23-13-21-19-15(4-3-5-16(19)23)22-10-8-20-9-11-22/h3-7,12-13,20H,8-11H2,1-2H3
InChIKeyCIQVAMQHEXBMSE-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.70
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole

1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole (PubChem CID 46203084) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole
PubChem CID46203084
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole
SMILESCOc1ccc(OC)c(S(=O)(=O)n2cnc3c(N4CCNCC4)cccc32)c1
InChIInChI=1S/C19H22N4O4S/c1-26-14-6-7-17(27-2)18(12-14)28(24,25)23-13-21-19-15(4-3-5-16(19)23)22-10-8-20-9-11-22/h3-7,12-13,20H,8-11H2,1-2H3
InChIKeyCIQVAMQHEXBMSE-UHFFFAOYSA-N
XLogP1.70
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole
CID 46202755
4-piperazin-1-yl-1-[2-(trifluoromethoxy)phenyl]sulfonylbenzimidazole
CID 46204041
1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole
CID 46204995
1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole
CID 22200837
1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid
CID 158369892
1-(3-chloro-2-methylphenyl)sulfonyl-4-(3-methylpiperazin-1-yl)benzimidazole
CID 46205653
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
3-(difluoromethyl)-1-(4-methoxyphenyl)sulfonyl-4-piperazin-1-ylindole
CID 118654355
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole
CID 150729010
1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 119961618
4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
CID 118181436
1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole (CID 46203084) is 1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole is COc1ccc(OC)c(S(=O)(=O)n2cnc3c(N4CCNCC4)cccc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole?
The InChIKey is CIQVAMQHEXBMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-26-14-6-7-17(27-2)18(12-14)28(24,25)23-13-21-19-15(4-3-5-16(19)23)22-10-8-20-9-11-22/h3-7,12-13,20H,8-11H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole?
1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole has a molecular weight of 402.48 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 46203084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).