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

C124H131F12N9O21 — CID 159872060

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

4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-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(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one (PubChem CID 159872060) has the molecular formula C124H131F12N9O21 and a molecular weight of 2311.43 g/mol. Its IUPAC name is 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-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(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one.

Molecular Properties

• Compound Name: 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-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(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one
• PubChem CID: 159872060
• Molecular Formula: C124H131F12N9O21
• Molecular Weight: 2311.43 g/mol
• Exact Mass: 2309.93
• IUPAC Name: 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-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(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one
• SMILES: COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)c(OC)c2)cc1OC.COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)c(OC)c2)cc1OC.COc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)c(OC)c2)cc1OC
• InChI: InChI=1S/C42H43F6N3O7.2C41H44F3N3O7/c1-53-34-15-11-28(22-36(34)55-3)38-39(29-12-16-35(54-2)37(23-29)56-4)51(40(50-38)31-14-13-30(41(43,44)45)24-32(31)42(46,47)48)25-26-7-9-27(10-8-26)33(52)6-5-18-57-20-21-58-19-17-49;1-49-34-16-14-29(24-36(34)51-3)38-39(30-15-17-35(50-2)37(25-30)52-4)47(40(46-38)31-7-5-8-32(23-31)41(42,43)44)26-27-10-12-28(13-11-27)33(48)9-6-19-53-21-22-54-20-18-45;1-49-34-17-13-30(24-36(34)51-3)38-39(31-14-18-35(50-2)37(25-31)52-4)47(40(46-38)29-11-15-32(16-12-29)41(42,43)44)26-27-7-9-28(10-8-27)33(48)6-5-20-53-22-23-54-21-19-45/h7-16,22-24H,5-6,17-21,25,49H2,1-4H3;5,7-8,10-17,23-25H,6,9,18-22,26,45H2,1-4H3;7-18,24-25H,5-6,19-23,26,45H2,1-4H3
• InChIKey: NSMBKPGLUOSEMP-UHFFFAOYSA-N
• XLogP: 24.84
• TPSA: 348.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 57
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2311.43
LogP ≤ 5	24.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

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

The IUPAC name of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-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(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one (CID 159872060) is 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-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(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one.

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

The canonical SMILES for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-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(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one is COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)c(OC)c2)cc1OC.COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)c(OC)c2)cc1OC.COc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)c(OC)c2)cc1OC.

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

The InChIKey is NSMBKPGLUOSEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43F6N3O7.2C41H44F3N3O7/c1-53-34-15-11-28(22-36(34)55-3)38-39(29-12-16-35(54-2)37(23-29)56-4)51(40(50-38)31-14-13-30(41(43,44)45)24-32(31)42(46,47)48)25-26-7-9-27(10-8-26)33(52)6-5-18-57-20-21-58-19-17-49;1-49-34-16-14-29(24-36(34)51-3)38-39(30-15-17-35(50-2)37(25-30)52-4)47(40(46-38)31-7-5-8-32(23-31)41(42,43)44)26-27-10-12-28(13-11-27)33(48)9-6-19-53-21-22-54-20-18-45;1-49-34-17-13-30(24-36(34)51-3)38-39(31-14-18-35(50-2)37(25-31)52-4)47(40(46-38)29-11-15-32(16-12-29)41(42,43)44)26-27-7-9-28(10-8-27)33(48)6-5-20-53-22-23-54-21-19-45/h7-16,22-24H,5-6,17-21,25,49H2,1-4H3;5,7-8,10-17,23-25H,6,9,18-22,26,45H2,1-4H3;7-18,24-25H,5-6,19-23,26,45H2,1-4H3.

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

4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-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(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one has a molecular weight of 2311.43 g/mol, XLogP of 24.84, 57 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3,4-dimethoxyphenyl)-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(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one is sourced from PubChem (CID 159872060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).