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

C158H153F23N12O20 — CID 157486440

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

4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-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(2-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one (PubChem CID 157486440) has the molecular formula C158H153F23N12O20 and a molecular weight of 2976.98 g/mol. Its IUPAC name is 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-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(2-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one.

Molecular Properties

• Compound Name: 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-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(2-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one
• PubChem CID: 157486440
• Molecular Formula: C158H153F23N12O20
• Molecular Weight: 2976.98 g/mol
• Exact Mass: 2975.10
• IUPAC Name: 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-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(2-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one
• SMILES: COc1ccc(-c2nc(-c3cc(C)cc(C(F)(F)F)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2F)c(F)c1.COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2F)c(F)c1.COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2F)c(F)c1.COc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2F)c(F)c1
• InChI: InChI=1S/C40H37F8N3O5.C40H40F5N3O5.2C39H38F5N3O5/c1-53-27-10-13-30(33(41)21-27)36-37(31-14-11-28(54-2)22-34(31)42)51(38(50-36)29-12-9-26(39(43,44)45)20-32(29)40(46,47)48)23-24-5-7-25(8-6-24)35(52)4-3-16-55-18-19-56-17-15-49;1-25-19-28(21-29(20-25)40(43,44)45)39-47-37(32-12-10-30(50-2)22-34(32)41)38(33-13-11-31(51-3)23-35(33)42)48(39)24-26-6-8-27(9-7-26)36(49)5-4-15-52-17-18-53-16-14-46;1-49-29-12-14-31(33(40)22-29)36-37(32-15-13-30(50-2)23-34(32)41)47(38(46-36)27-5-3-6-28(21-27)39(42,43)44)24-25-8-10-26(11-9-25)35(48)7-4-17-51-19-20-52-18-16-45;1-49-29-13-15-31(33(40)22-29)36-37(32-16-14-30(50-2)23-34(32)41)47(38(46-36)27-9-11-28(12-10-27)39(42,43)44)24-25-5-7-26(8-6-25)35(48)4-3-18-51-20-21-52-19-17-45/h5-14,20-22H,3-4,15-19,23,49H2,1-2H3;6-13,19-23H,4-5,14-18,24,46H2,1-3H3;3,5-6,8-15,21-23H,4,7,16-20,24,45H2,1-2H3;5-16,22-23H,3-4,17-21,24,45H2,1-2H3
• InChIKey: BWTPKOLKEANHKZ-UHFFFAOYSA-N
• XLogP: 34.13
• TPSA: 391.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 68
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2976.98
LogP ≤ 5	34.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

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

The IUPAC name of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-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(2-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one (CID 157486440) is 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-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(2-fluoro-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(2-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-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(2-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one?

The canonical SMILES for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-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(2-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one is COc1ccc(-c2nc(-c3cc(C)cc(C(F)(F)F)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2F)c(F)c1.COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2F)c(F)c1.COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2F)c(F)c1.COc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)cc2F)c(F)c1.

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

The InChIKey is BWTPKOLKEANHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37F8N3O5.C40H40F5N3O5.2C39H38F5N3O5/c1-53-27-10-13-30(33(41)21-27)36-37(31-14-11-28(54-2)22-34(31)42)51(38(50-36)29-12-9-26(39(43,44)45)20-32(29)40(46,47)48)23-24-5-7-25(8-6-24)35(52)4-3-16-55-18-19-56-17-15-49;1-25-19-28(21-29(20-25)40(43,44)45)39-47-37(32-12-10-30(50-2)22-34(32)41)38(33-13-11-31(51-3)23-35(33)42)48(39)24-26-6-8-27(9-7-26)36(49)5-4-15-52-17-18-53-16-14-46;1-49-29-12-14-31(33(40)22-29)36-37(32-15-13-30(50-2)23-34(32)41)47(38(46-36)27-5-3-6-28(21-27)39(42,43)44)24-25-8-10-26(11-9-25)35(48)7-4-17-51-19-20-52-18-16-45;1-49-29-13-15-31(33(40)22-29)36-37(32-16-14-30(50-2)23-34(32)41)47(38(46-36)27-9-11-28(12-10-27)39(42,43)44)24-25-5-7-26(8-6-25)35(48)4-3-18-51-20-21-52-19-17-45/h5-14,20-22H,3-4,15-19,23,49H2,1-2H3;6-13,19-23H,4-5,14-18,24,46H2,1-3H3;3,5-6,8-15,21-23H,4,7,16-20,24,45H2,1-2H3;5-16,22-23H,3-4,17-21,24,45H2,1-2H3.

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

4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-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(2-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one has a molecular weight of 2976.98 g/mol, XLogP of 34.13, 68 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-fluoro-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(2-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one is sourced from PubChem (CID 157486440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).