potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine

C52H33Br3F6KN11O6S3 — CID 169426982

About potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine

potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine (PubChem CID 169426982) has the molecular formula C52H33Br3F6KN11O6S3 and a molecular weight of 1396.91 g/mol. Its IUPAC name is potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine.

Molecular Properties

• Compound Name: potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine
• PubChem CID: 169426982
• Molecular Formula: C52H33Br3F6KN11O6S3
• Molecular Weight: 1396.91 g/mol
• Exact Mass: 1392.89
• IUPAC Name: potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine
• SMILES: C1CNCCN1.N#Cc1ccc(-n2c(Br)cnc2SC(F)(F)C(=O)O)c2ccccc12.N#Cc1ccc(-n2c(Br)cnc2SC(F)(F)C(=O)O)c2ccccc12.N#Cc1ccc(-n2c(Br)cnc2SC(F)(F)C(=O)[O-])c2ccccc12.[K+]
• InChI: InChI=1S/3C16H8BrF2N3O2S.C4H10N2.K/c3*17-13-8-21-15(25-16(18,19)14(23)24)22(13)12-6-5-9(7-20)10-3-1-2-4-11(10)12;1-2-6-4-3-5-1;/h3*1-6,8H,(H,23,24);5-6H,1-4H2;/q;;;;+1/p-1
• InChIKey: KPXFPUQRIIKUKC-UHFFFAOYSA-M
• XLogP: 8.14
• TPSA: 263.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1396.91
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine?

The IUPAC name of potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine (CID 169426982) is potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine.

What is the SMILES notation for potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine?

The canonical SMILES for potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine is C1CNCCN1.N#Cc1ccc(-n2c(Br)cnc2SC(F)(F)C(=O)O)c2ccccc12.N#Cc1ccc(-n2c(Br)cnc2SC(F)(F)C(=O)O)c2ccccc12.N#Cc1ccc(-n2c(Br)cnc2SC(F)(F)C(=O)[O-])c2ccccc12.[K+].

What is the InChIKey of potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine?

The InChIKey is KPXFPUQRIIKUKC-UHFFFAOYSA-M. The full InChI is InChI=1S/3C16H8BrF2N3O2S.C4H10N2.K/c3*17-13-8-21-15(25-16(18,19)14(23)24)22(13)12-6-5-9(7-20)10-3-1-2-4-11(10)12;1-2-6-4-3-5-1;/h3*1-6,8H,(H,23,24);5-6H,1-4H2;/q;;;;+1/p-1.

What are the key properties of potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine?

potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine has a molecular weight of 1396.91 g/mol, XLogP of 8.14, 12 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine is sourced from PubChem (CID 169426982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).