2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide

C32H22F8N8O2S2 — CID 17325080

About 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide (PubChem CID 17325080) has the molecular formula C32H22F8N8O2S2 and a molecular weight of 766.70 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide.

Molecular Properties

• Compound Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide
• PubChem CID: 17325080
• Molecular Formula: C32H22F8N8O2S2
• Molecular Weight: 766.70 g/mol
• Exact Mass: 766.12
• IUPAC Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide
• SMILES: Cc1ccc2nc(SCC(=O)NNc3c(F)c(F)c(-c4c(F)c(F)c(NNC(=O)CSc5nc6ccc(C)cc6[nH]5)c(F)c4F)c(F)c3F)[nH]c2c1
• InChI: InChI=1S/C32H22F8N8O2S2/c1-11-3-5-13-15(7-11)43-31(41-13)51-9-17(49)45-47-29-25(37)21(33)19(22(34)26(29)38)20-23(35)27(39)30(28(40)24(20)36)48-46-18(50)10-52-32-42-14-6-4-12(2)8-16(14)44-32/h3-8,47-48H,9-10H2,1-2H3,(H,41,43)(H,42,44)(H,45,49)(H,46,50)
• InChIKey: YGDXQOICENFNGM-UHFFFAOYSA-N
• XLogP: 7.31
• TPSA: 139.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	766.70
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide?

The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide (CID 17325080) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide.

What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide?

The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide is Cc1ccc2nc(SCC(=O)NNc3c(F)c(F)c(-c4c(F)c(F)c(NNC(=O)CSc5nc6ccc(C)cc6[nH]5)c(F)c4F)c(F)c3F)[nH]c2c1.

What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide?

The InChIKey is YGDXQOICENFNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F8N8O2S2/c1-11-3-5-13-15(7-11)43-31(41-13)51-9-17(49)45-47-29-25(37)21(33)19(22(34)26(29)38)20-23(35)27(39)30(28(40)24(20)36)48-46-18(50)10-52-32-42-14-6-4-12(2)8-16(14)44-32/h3-8,47-48H,9-10H2,1-2H3,(H,41,43)(H,42,44)(H,45,49)(H,46,50).

What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide?

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide has a molecular weight of 766.70 g/mol, XLogP of 7.31, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]hydrazinyl]phenyl]phenyl]acetohydrazide is sourced from PubChem (CID 17325080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).