1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole

C18H19BrN4O3S — CID 46202755

IUPAC1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole
SMILESCOc1ccc(Br)cc1S(=O)(=O)n1cnc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H19BrN4O3S/c1-26-16-6-5-13(19)11-17(16)27(24,25)23-12-21-18-14(3-2-4-15(18)23)22-9-7-20-8-10-22/h2-6,11-12,20H,7-10H2,1H3
InChIKeyYQWMAGNEUURTBH-UHFFFAOYSA-N
MW451.35 g/mol
LogP2.45
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole

1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole (PubChem CID 46202755) has the molecular formula C18H19BrN4O3S and a molecular weight of 451.35 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole
PubChem CID46202755
Molecular FormulaC18H19BrN4O3S
Molecular Weight451.35 g/mol
Exact Mass450.04
IUPAC Name1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole
SMILESCOc1ccc(Br)cc1S(=O)(=O)n1cnc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H19BrN4O3S/c1-26-16-6-5-13(19)11-17(16)27(24,25)23-12-21-18-14(3-2-4-15(18)23)22-9-7-20-8-10-22/h2-6,11-12,20H,7-10H2,1H3
InChIKeyYQWMAGNEUURTBH-UHFFFAOYSA-N
XLogP2.45
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole
CID 46203084
4-piperazin-1-yl-1-[2-(trifluoromethoxy)phenyl]sulfonylbenzimidazole
CID 46204041
1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole
CID 46204995
1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole
CID 141089036
1-(3-chloro-2-methylphenyl)sulfonyl-4-(3-methylpiperazin-1-yl)benzimidazole
CID 46205653
1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazole
CID 775774
1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3779020
6-bromo-3-(difluoromethyl)-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindazole
CID 118181450
1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole
CID 4048187
1-(5-bromo-2-methoxyphenyl)sulfonyl-3-methylpiperazine
CID 65449942
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole
CID 150729010
4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
CID 118181436

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole (CID 46202755) is 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole is COc1ccc(Br)cc1S(=O)(=O)n1cnc2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole?
The InChIKey is YQWMAGNEUURTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O3S/c1-26-16-6-5-13(19)11-17(16)27(24,25)23-12-21-18-14(3-2-4-15(18)23)22-9-7-20-8-10-22/h2-6,11-12,20H,7-10H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole?
1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole has a molecular weight of 451.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 46202755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).