4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one

C159H169F9N12O22 — CID 157157572

About 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one

4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one (PubChem CID 157157572) has the molecular formula C159H169F9N12O22 and a molecular weight of 2771.14 g/mol. Its IUPAC name is 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one.

Molecular Properties

• Compound Name: 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one
• PubChem CID: 157157572
• Molecular Formula: C159H169F9N12O22
• Molecular Weight: 2771.14 g/mol
• Exact Mass: 2769.23
• IUPAC Name: 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one
• SMILES: COc1ccc(-c2nc(-c3cc(C)cc(C)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2nc(-c3cc(OC)cc(OC)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C40H39F6N3O5.C40H45N3O7.C40H45N3O5.C39H40F3N3O5/c1-51-31-14-9-28(10-15-31)36-37(29-11-16-32(52-2)17-12-29)49(38(48-36)33-18-13-30(39(41,42)43)24-34(33)40(44,45)46)25-26-5-7-27(8-6-26)35(50)4-3-20-53-22-23-54-21-19-47;1-45-33-15-11-30(12-16-33)38-39(31-13-17-34(46-2)18-14-31)43(40(42-38)32-24-35(47-3)26-36(25-32)48-4)27-28-7-9-29(10-8-28)37(44)6-5-20-49-22-23-50-21-19-41;1-28-24-29(2)26-34(25-28)40-42-38(32-11-15-35(45-3)16-12-32)39(33-13-17-36(46-4)18-14-33)43(40)27-30-7-9-31(10-8-30)37(44)6-5-20-47-22-23-48-21-19-41;1-47-33-17-11-29(12-18-33)36-37(30-13-19-34(48-2)20-14-30)45(38(44-36)31-9-15-32(16-10-31)39(40,41)42)26-27-5-7-28(8-6-27)35(46)4-3-22-49-24-25-50-23-21-43/h5-18,24H,3-4,19-23,25,47H2,1-2H3;7-18,24-26H,5-6,19-23,27,41H2,1-4H3;7-18,24-26H,5-6,19-23,27,41H2,1-4H3;5-20H,3-4,21-26,43H2,1-2H3
• InChIKey: ALZNKONAFSMSRD-UHFFFAOYSA-N
• XLogP: 31.31
• TPSA: 409.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 70
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2771.14
LogP ≤ 5	31.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one?

The IUPAC name of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one (CID 157157572) is 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one.

What is the SMILES notation for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one?

The canonical SMILES for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one is COc1ccc(-c2nc(-c3cc(C)cc(C)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2nc(-c3cc(OC)cc(OC)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2)cc1.

What is the InChIKey of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one?

The InChIKey is ALZNKONAFSMSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39F6N3O5.C40H45N3O7.C40H45N3O5.C39H40F3N3O5/c1-51-31-14-9-28(10-15-31)36-37(29-11-16-32(52-2)17-12-29)49(38(48-36)33-18-13-30(39(41,42)43)24-34(33)40(44,45)46)25-26-5-7-27(8-6-26)35(50)4-3-20-53-22-23-54-21-19-47;1-45-33-15-11-30(12-16-33)38-39(31-13-17-34(46-2)18-14-31)43(40(42-38)32-24-35(47-3)26-36(25-32)48-4)27-28-7-9-29(10-8-28)37(44)6-5-20-49-22-23-50-21-19-41;1-28-24-29(2)26-34(25-28)40-42-38(32-11-15-35(45-3)16-12-32)39(33-13-17-36(46-4)18-14-33)43(40)27-30-7-9-31(10-8-30)37(44)6-5-20-47-22-23-48-21-19-41;1-47-33-17-11-29(12-18-33)36-37(30-13-19-34(48-2)20-14-30)45(38(44-36)31-9-15-32(16-10-31)39(40,41)42)26-27-5-7-28(8-6-27)35(46)4-3-22-49-24-25-50-23-21-43/h5-18,24H,3-4,19-23,25,47H2,1-2H3;7-18,24-26H,5-6,19-23,27,41H2,1-4H3;7-18,24-26H,5-6,19-23,27,41H2,1-4H3;5-20H,3-4,21-26,43H2,1-2H3.

What are the key properties of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one?

4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one has a molecular weight of 2771.14 g/mol, XLogP of 31.31, 70 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one is sourced from PubChem (CID 157157572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).