1-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-3-[2-[3-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-2-hydroxypropoxy]ethoxy]propan-2-ol

C74H66F12N8O4 — CID 153313529

About 1-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-3-[2-[3-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-2-hydroxypropoxy]ethoxy]propan-2-ol

1-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-3-[2-[3-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-2-hydroxypropoxy]ethoxy]propan-2-ol (PubChem CID 153313529) has the molecular formula C74H66F12N8O4 and a molecular weight of 1359.37 g/mol. Its IUPAC name is 1-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-3-[2-[3-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-2-hydroxypropoxy]ethoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-3-[2-[3-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-2-hydroxypropoxy]ethoxy]propan-2-ol
• PubChem CID: 153313529
• Molecular Formula: C74H66F12N8O4
• Molecular Weight: 1359.37 g/mol
• Exact Mass: 1358.50
• IUPAC Name: 1-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-3-[2-[3-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-2-hydroxypropoxy]ethoxy]propan-2-ol
• SMILES: CCc1ccc(C(c2ccc(-c3nc4ccc(-c5ccc6nc(CC)[nH]c6c5)cc4n3CC(O)COCCOCC(O)Cn3c(-c4ccc(C(c5ccc(CC)cc5)(C(F)(F)F)C(F)(F)F)cc4)nc4ccc(-c5ccc6nc(CC)[nH]c6c5)cc43)cc2)(C(F)(F)F)C(F)(F)F)cc1
• InChI: InChI=1S/C74H66F12N8O4/c1-5-43-9-21-51(22-10-43)69(71(75,76)77,72(78,79)80)53-25-13-45(14-26-53)67-91-59-31-19-49(47-17-29-57-61(35-47)89-65(7-3)87-57)37-63(59)93(67)39-55(95)41-97-33-34-98-42-56(96)40-94-64-38-50(48-18-30-58-62(36-48)90-66(8-4)88-58)20-32-60(64)92-68(94)46-15-27-54(28-16-46)70(73(81,82)83,74(84,85)86)52-23-11-44(6-2)12-24-52/h9-32,35-38,55-56,95-96H,5-8,33-34,39-42H2,1-4H3,(H,87,89)(H,88,90)
• InChIKey: CKFDSSHVBVUCJZ-UHFFFAOYSA-N
• XLogP: 17.33
• TPSA: 151.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1359.37
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-3-[2-[3-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-2-hydroxypropoxy]ethoxy]propan-2-ol?

The IUPAC name of 1-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-3-[2-[3-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-2-hydroxypropoxy]ethoxy]propan-2-ol (CID 153313529) is 1-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-3-[2-[3-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-2-hydroxypropoxy]ethoxy]propan-2-ol.

What is the SMILES notation for 1-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-3-[2-[3-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-2-hydroxypropoxy]ethoxy]propan-2-ol?

The canonical SMILES for 1-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-3-[2-[3-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-2-hydroxypropoxy]ethoxy]propan-2-ol is CCc1ccc(C(c2ccc(-c3nc4ccc(-c5ccc6nc(CC)[nH]c6c5)cc4n3CC(O)COCCOCC(O)Cn3c(-c4ccc(C(c5ccc(CC)cc5)(C(F)(F)F)C(F)(F)F)cc4)nc4ccc(-c5ccc6nc(CC)[nH]c6c5)cc43)cc2)(C(F)(F)F)C(F)(F)F)cc1.

What is the InChIKey of 1-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-3-[2-[3-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-2-hydroxypropoxy]ethoxy]propan-2-ol?

The InChIKey is CKFDSSHVBVUCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H66F12N8O4/c1-5-43-9-21-51(22-10-43)69(71(75,76)77,72(78,79)80)53-25-13-45(14-26-53)67-91-59-31-19-49(47-17-29-57-61(35-47)89-65(7-3)87-57)37-63(59)93(67)39-55(95)41-97-33-34-98-42-56(96)40-94-64-38-50(48-18-30-58-62(36-48)90-66(8-4)88-58)20-32-60(64)92-68(94)46-15-27-54(28-16-46)70(73(81,82)83,74(84,85)86)52-23-11-44(6-2)12-24-52/h9-32,35-38,55-56,95-96H,5-8,33-34,39-42H2,1-4H3,(H,87,89)(H,88,90).

What are the key properties of 1-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-3-[2-[3-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-2-hydroxypropoxy]ethoxy]propan-2-ol?

1-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-3-[2-[3-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-2-hydroxypropoxy]ethoxy]propan-2-ol has a molecular weight of 1359.37 g/mol, XLogP of 17.33, 23 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-3-[2-[3-[6-(2-ethyl-3H-benzimidazol-5-yl)-2-[4-[2-(4-ethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]benzimidazol-1-yl]-2-hydroxypropoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 153313529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).