4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(4-chlorophenyl)imidazol-2-yl]benzene-1,3-dicarboxylate

C157H159Cl6F5N12O23 — CID 158499354

About 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(4-chlorophenyl)imidazol-2-yl]benzene-1,3-dicarboxylate

4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(4-chlorophenyl)imidazol-2-yl]benzene-1,3-dicarboxylate (PubChem CID 158499354) has the molecular formula C157H159Cl6F5N12O23 and a molecular weight of 2889.77 g/mol. Its IUPAC name is 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(4-chlorophenyl)imidazol-2-yl]benzene-1,3-dicarboxylate.

Molecular Properties

• Compound Name: 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(4-chlorophenyl)imidazol-2-yl]benzene-1,3-dicarboxylate
• PubChem CID: 158499354
• Molecular Formula: C157H159Cl6F5N12O23
• Molecular Weight: 2889.77 g/mol
• Exact Mass: 2884.97
• IUPAC Name: 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(4-chlorophenyl)imidazol-2-yl]benzene-1,3-dicarboxylate
• SMILES: COC(=O)c1cc(C(=O)OC)cc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2Cc2ccc(C(=O)CCCOCCOCCN)cc2)c1.COc1cc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2Cc2ccc(C(=O)CCCOCCOCCN)cc2)cc(OC)c1OC.COc1cc(OC)cc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2Cc2ccc(C(=O)CCCOCCOCCN)cc2)c1.COc1ccc(-c2nc(-c3cc(C)cc(C(F)(F)F)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)c(F)c2)cc1F
• InChI: InChI=1S/C40H39Cl2N3O7.C40H40F5N3O5.C39H41Cl2N3O6.C38H39Cl2N3O5/c1-49-39(47)31-22-30(23-32(24-31)40(48)50-2)38-44-36(28-9-13-33(41)14-10-28)37(29-11-15-34(42)16-12-29)45(38)25-26-5-7-27(8-6-26)35(46)4-3-18-51-20-21-52-19-17-43;1-25-19-30(21-31(20-25)40(43,44)45)39-47-37(28-10-12-35(50-2)32(41)22-28)38(29-11-13-36(51-3)33(42)23-29)48(39)24-26-6-8-27(9-7-26)34(49)5-4-15-52-17-18-53-16-14-46;1-46-34-23-30(24-35(47-2)38(34)48-3)39-43-36(28-10-14-31(40)15-11-28)37(29-12-16-32(41)17-13-29)44(39)25-26-6-8-27(9-7-26)33(45)5-4-19-49-21-22-50-20-18-42;1-45-33-22-30(23-34(24-33)46-2)38-42-36(28-9-13-31(39)14-10-28)37(29-11-15-32(40)16-12-29)43(38)25-26-5-7-27(8-6-26)35(44)4-3-18-47-20-21-48-19-17-41/h5-16,22-24H,3-4,17-21,25,43H2,1-2H3;6-13,19-23H,4-5,14-18,24,46H2,1-3H3;6-17,23-24H,4-5,18-22,25,42H2,1-3H3;5-16,22-24H,3-4,17-21,25,41H2,1-2H3
• InChIKey: HJRVFIYPMNAYLR-UHFFFAOYSA-N
• XLogP: 32.71
• TPSA: 434.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 69
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2889.77
LogP ≤ 5	32.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

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-chlorophenyl)-2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(4-chlorophenyl)imidazol-2-yl]benzene-1,3-dicarboxylate?

The IUPAC name of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(4-chlorophenyl)imidazol-2-yl]benzene-1,3-dicarboxylate (CID 158499354) is 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(4-chlorophenyl)imidazol-2-yl]benzene-1,3-dicarboxylate.

What is the SMILES notation for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(4-chlorophenyl)imidazol-2-yl]benzene-1,3-dicarboxylate?

The canonical SMILES for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(4-chlorophenyl)imidazol-2-yl]benzene-1,3-dicarboxylate is COC(=O)c1cc(C(=O)OC)cc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2Cc2ccc(C(=O)CCCOCCOCCN)cc2)c1.COc1cc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2Cc2ccc(C(=O)CCCOCCOCCN)cc2)cc(OC)c1OC.COc1cc(OC)cc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2Cc2ccc(C(=O)CCCOCCOCCN)cc2)c1.COc1ccc(-c2nc(-c3cc(C)cc(C(F)(F)F)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2ccc(OC)c(F)c2)cc1F.

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

The InChIKey is HJRVFIYPMNAYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39Cl2N3O7.C40H40F5N3O5.C39H41Cl2N3O6.C38H39Cl2N3O5/c1-49-39(47)31-22-30(23-32(24-31)40(48)50-2)38-44-36(28-9-13-33(41)14-10-28)37(29-11-15-34(42)16-12-29)45(38)25-26-5-7-27(8-6-26)35(46)4-3-18-51-20-21-52-19-17-43;1-25-19-30(21-31(20-25)40(43,44)45)39-47-37(28-10-12-35(50-2)32(41)22-28)38(29-11-13-36(51-3)33(42)23-29)48(39)24-26-6-8-27(9-7-26)34(49)5-4-15-52-17-18-53-16-14-46;1-46-34-23-30(24-35(47-2)38(34)48-3)39-43-36(28-10-14-31(40)15-11-28)37(29-12-16-32(41)17-13-29)44(39)25-26-6-8-27(9-7-26)33(45)5-4-19-49-21-22-50-20-18-42;1-45-33-22-30(23-34(24-33)46-2)38-42-36(28-9-13-31(39)14-10-28)37(29-11-15-32(40)16-12-29)43(38)25-26-5-7-27(8-6-26)35(44)4-3-18-47-20-21-48-19-17-41/h5-16,22-24H,3-4,17-21,25,43H2,1-2H3;6-13,19-23H,4-5,14-18,24,46H2,1-3H3;6-17,23-24H,4-5,18-22,25,42H2,1-3H3;5-16,22-24H,3-4,17-21,25,41H2,1-2H3.

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

4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(4-chlorophenyl)imidazol-2-yl]benzene-1,3-dicarboxylate has a molecular weight of 2889.77 g/mol, XLogP of 32.71, 69 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-fluoro-4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(4-chlorophenyl)imidazol-2-yl]benzene-1,3-dicarboxylate is sourced from PubChem (CID 158499354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).