2-[2-[2-[2-[2-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-methylidene-4-oxoimidazolidin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(5-methyl-1H-imidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide

C55H68F3N7O11 — CID 157144947

About 2-[2-[2-[2-[2-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-methylidene-4-oxoimidazolidin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(5-methyl-1H-imidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide

2-[2-[2-[2-[2-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-methylidene-4-oxoimidazolidin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(5-methyl-1H-imidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide (PubChem CID 157144947) has the molecular formula C55H68F3N7O11 and a molecular weight of 1060.18 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-methylidene-4-oxoimidazolidin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(5-methyl-1H-imidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-methylidene-4-oxoimidazolidin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(5-methyl-1H-imidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
• PubChem CID: 157144947
• Molecular Formula: C55H68F3N7O11
• Molecular Weight: 1060.18 g/mol
• Exact Mass: 1059.49
• IUPAC Name: 2-[2-[2-[2-[2-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-methylidene-4-oxoimidazolidin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(5-methyl-1H-imidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
• SMILES: C=C1N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C(C)(C)N1c1ccc(OCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3nc[nH]c3C)cc2)C(C)(C)C)cc1
• InChI: InChI=1S/C55H68F3N7O11/c1-36-49(61-35-60-36)39-11-8-38(9-12-39)10-19-47(67)46-31-43(66)33-63(46)51(69)50(53(3,4)5)62-48(68)34-75-27-26-73-23-22-71-20-21-72-24-25-74-28-29-76-44-17-15-41(16-18-44)65-37(2)64(52(70)54(65,6)7)42-14-13-40(32-59)45(30-42)55(56,57)58/h8-9,11-18,30,35,43,46,50,66H,2,10,19-29,31,33-34H2,1,3-7H3,(H,60,61)(H,62,68)/t43-,46+,50-/m1/s1
• InChIKey: AKPGAQCQVSAJKY-PPZMWGPZSA-N
• XLogP: 6.53
• TPSA: 218.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 27
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1060.18
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-methylidene-4-oxoimidazolidin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(5-methyl-1H-imidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide?

The IUPAC name of 2-[2-[2-[2-[2-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-methylidene-4-oxoimidazolidin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(5-methyl-1H-imidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide (CID 157144947) is 2-[2-[2-[2-[2-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-methylidene-4-oxoimidazolidin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(5-methyl-1H-imidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-methylidene-4-oxoimidazolidin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(5-methyl-1H-imidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-methylidene-4-oxoimidazolidin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(5-methyl-1H-imidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide is C=C1N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C(C)(C)N1c1ccc(OCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3nc[nH]c3C)cc2)C(C)(C)C)cc1.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-methylidene-4-oxoimidazolidin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(5-methyl-1H-imidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide?

The InChIKey is AKPGAQCQVSAJKY-PPZMWGPZSA-N. The full InChI is InChI=1S/C55H68F3N7O11/c1-36-49(61-35-60-36)39-11-8-38(9-12-39)10-19-47(67)46-31-43(66)33-63(46)51(69)50(53(3,4)5)62-48(68)34-75-27-26-73-23-22-71-20-21-72-24-25-74-28-29-76-44-17-15-41(16-18-44)65-37(2)64(52(70)54(65,6)7)42-14-13-40(32-59)45(30-42)55(56,57)58/h8-9,11-18,30,35,43,46,50,66H,2,10,19-29,31,33-34H2,1,3-7H3,(H,60,61)(H,62,68)/t43-,46+,50-/m1/s1.

What are the key properties of 2-[2-[2-[2-[2-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-methylidene-4-oxoimidazolidin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(5-methyl-1H-imidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide?

2-[2-[2-[2-[2-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-methylidene-4-oxoimidazolidin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(5-methyl-1H-imidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide has a molecular weight of 1060.18 g/mol, XLogP of 6.53, 27 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-methylidene-4-oxoimidazolidin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(5-methyl-1H-imidazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 157144947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).