5-[3-[3-[2-[(4-benzylpiperazin-1-yl)methyl]-5-[3-[3-[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-4-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole

C80H75F2N11O — CID 137137463

About 5-[3-[3-[2-[(4-benzylpiperazin-1-yl)methyl]-5-[3-[3-[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-4-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole

5-[3-[3-[2-[(4-benzylpiperazin-1-yl)methyl]-5-[3-[3-[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-4-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole (PubChem CID 137137463) has the molecular formula C80H75F2N11O and a molecular weight of 1244.55 g/mol. Its IUPAC name is 5-[3-[3-[2-[(4-benzylpiperazin-1-yl)methyl]-5-[3-[3-[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-4-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole.

Molecular Properties

• Compound Name: 5-[3-[3-[2-[(4-benzylpiperazin-1-yl)methyl]-5-[3-[3-[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-4-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole
• PubChem CID: 137137463
• Molecular Formula: C80H75F2N11O
• Molecular Weight: 1244.55 g/mol
• Exact Mass: 1243.61
• IUPAC Name: 5-[3-[3-[2-[(4-benzylpiperazin-1-yl)methyl]-5-[3-[3-[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-4-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole
• SMILES: Fc1cccc(N2CCN(Cc3nc(-c4ccccc4)c(-c4cccc(-c5cccc(-c6nc(CN7CCN(Cc8ccccc8)CC7)[nH]c6-c6cccc(-c7cccc(-c8nc(CN9CCN(Cc%10ccccc%10F)CC9)[nH]c8-c8ccccc8)c7)c6)c5)c4)o3)CC2)c1
• InChI: InChI=1S/C80H75F2N11O/c81-69-32-16-33-70(51-69)93-45-43-92(44-46-93)56-74-87-79(59-21-8-3-9-22-59)80(94-74)67-31-15-27-63(50-67)62-26-14-30-66(49-62)78-77(85-73(86-78)55-90-39-35-88(36-40-90)52-57-17-4-1-5-18-57)65-29-13-25-61(48-65)60-24-12-28-64(47-60)76-75(58-19-6-2-7-20-58)83-72(84-76)54-91-41-37-89(38-42-91)53-68-23-10-11-34-71(68)82/h1-34,47-51H,35-46,52-56H2,(H,83,84)(H,85,86)
• InChIKey: VTPUSCJUVDXPFA-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 102.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1244.55
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[2-[(4-benzylpiperazin-1-yl)methyl]-5-[3-[3-[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-4-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole?

The IUPAC name of 5-[3-[3-[2-[(4-benzylpiperazin-1-yl)methyl]-5-[3-[3-[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-4-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole (CID 137137463) is 5-[3-[3-[2-[(4-benzylpiperazin-1-yl)methyl]-5-[3-[3-[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-4-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole.

What is the SMILES notation for 5-[3-[3-[2-[(4-benzylpiperazin-1-yl)methyl]-5-[3-[3-[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-4-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole?

The canonical SMILES for 5-[3-[3-[2-[(4-benzylpiperazin-1-yl)methyl]-5-[3-[3-[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-4-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole is Fc1cccc(N2CCN(Cc3nc(-c4ccccc4)c(-c4cccc(-c5cccc(-c6nc(CN7CCN(Cc8ccccc8)CC7)[nH]c6-c6cccc(-c7cccc(-c8nc(CN9CCN(Cc%10ccccc%10F)CC9)[nH]c8-c8ccccc8)c7)c6)c5)c4)o3)CC2)c1.

What is the InChIKey of 5-[3-[3-[2-[(4-benzylpiperazin-1-yl)methyl]-5-[3-[3-[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-4-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole?

The InChIKey is VTPUSCJUVDXPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H75F2N11O/c81-69-32-16-33-70(51-69)93-45-43-92(44-46-93)56-74-87-79(59-21-8-3-9-22-59)80(94-74)67-31-15-27-63(50-67)62-26-14-30-66(49-62)78-77(85-73(86-78)55-90-39-35-88(36-40-90)52-57-17-4-1-5-18-57)65-29-13-25-61(48-65)60-24-12-28-64(47-60)76-75(58-19-6-2-7-20-58)83-72(84-76)54-91-41-37-89(38-42-91)53-68-23-10-11-34-71(68)82/h1-34,47-51H,35-46,52-56H2,(H,83,84)(H,85,86).

What are the key properties of 5-[3-[3-[2-[(4-benzylpiperazin-1-yl)methyl]-5-[3-[3-[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-4-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole?

5-[3-[3-[2-[(4-benzylpiperazin-1-yl)methyl]-5-[3-[3-[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-4-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole has a molecular weight of 1244.55 g/mol, XLogP of 15.69, 19 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[3-[2-[(4-benzylpiperazin-1-yl)methyl]-5-[3-[3-[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-4-yl]phenyl]phenyl]-2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole is sourced from PubChem (CID 137137463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).