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

C157H163F7N12O23 — CID 159197678

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

4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-(3-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(3-methoxyphenyl)imidazol-2-yl]benzene-1,3-dicarboxylate (PubChem CID 159197678) has the molecular formula C157H163F7N12O23 and a molecular weight of 2719.08 g/mol. Its IUPAC name is 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-(3-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(3-methoxyphenyl)imidazol-2-yl]benzene-1,3-dicarboxylate.

Molecular Properties

• Compound Name: 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-(3-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(3-methoxyphenyl)imidazol-2-yl]benzene-1,3-dicarboxylate
• PubChem CID: 159197678
• Molecular Formula: C157H163F7N12O23
• Molecular Weight: 2719.08 g/mol
• Exact Mass: 2717.18
• IUPAC Name: 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-(3-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(3-methoxyphenyl)imidazol-2-yl]benzene-1,3-dicarboxylate
• SMILES: COC(=O)c1cc(C(=O)OC)cc(-c2nc(-c3cccc(OC)c3)c(-c3cccc(OC)c3)n2Cc2ccc(C(=O)CCCOCCOCCN)cc2)c1.COc1cccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2cccc(OC)c2)c1.Cc1cccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2Cc2ccc(C(=O)CCCOCCOCCN)cc2)c1.NCCOCCOCCCC(=O)c1ccc(Cn2c(-c3ccc(C(F)(F)F)cc3)nc(-c3ccc(F)cc3)c2-c2ccc(F)cc2)cc1
• InChI: InChI=1S/C42H45N3O9.C41H47N3O8.C37H34F5N3O3.C37H37F2N3O3/c1-49-35-10-5-8-30(25-35)38-39(31-9-6-11-36(26-31)50-2)45(40(44-38)32-22-33(41(47)51-3)24-34(23-32)42(48)52-4)27-28-13-15-29(16-14-28)37(46)12-7-18-53-20-21-54-19-17-43;1-46-33-11-6-9-30(23-33)38-39(31-10-7-12-34(24-31)47-2)44(41(43-38)32-25-36(48-3)40(50-5)37(26-32)49-4)27-28-14-16-29(17-15-28)35(45)13-8-19-51-21-22-52-20-18-42;38-31-15-9-27(10-16-31)34-35(28-11-17-32(39)18-12-28)45(36(44-34)29-7-13-30(14-8-29)37(40,41)42)24-25-3-5-26(6-4-25)33(46)2-1-20-47-22-23-48-21-19-43;1-26-4-2-5-31(24-26)37-41-35(29-11-15-32(38)16-12-29)36(30-13-17-33(39)18-14-30)42(37)25-27-7-9-28(10-8-27)34(43)6-3-20-44-22-23-45-21-19-40/h5-6,8-11,13-16,22-26H,7,12,17-21,27,43H2,1-4H3;6-7,9-12,14-17,23-26H,8,13,18-22,27,42H2,1-5H3;3-18H,1-2,19-24,43H2;2,4-5,7-18,24H,3,6,19-23,25,40H2,1H3
• InChIKey: KOWKCQSKOQFFGR-UHFFFAOYSA-N
• XLogP: 29.07
• TPSA: 434.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 69
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2719.08
LogP ≤ 5	29.07
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-fluorophenyl)-2-(3-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(3-methoxyphenyl)imidazol-2-yl]benzene-1,3-dicarboxylate?

The IUPAC name of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-(3-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(3-methoxyphenyl)imidazol-2-yl]benzene-1,3-dicarboxylate (CID 159197678) is 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-(3-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(3-methoxyphenyl)imidazol-2-yl]benzene-1,3-dicarboxylate.

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

The canonical SMILES for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-(3-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(3-methoxyphenyl)imidazol-2-yl]benzene-1,3-dicarboxylate is COC(=O)c1cc(C(=O)OC)cc(-c2nc(-c3cccc(OC)c3)c(-c3cccc(OC)c3)n2Cc2ccc(C(=O)CCCOCCOCCN)cc2)c1.COc1cccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)n(Cc3ccc(C(=O)CCCOCCOCCN)cc3)c2-c2cccc(OC)c2)c1.Cc1cccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2Cc2ccc(C(=O)CCCOCCOCCN)cc2)c1.NCCOCCOCCCC(=O)c1ccc(Cn2c(-c3ccc(C(F)(F)F)cc3)nc(-c3ccc(F)cc3)c2-c2ccc(F)cc2)cc1.

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

The InChIKey is KOWKCQSKOQFFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45N3O9.C41H47N3O8.C37H34F5N3O3.C37H37F2N3O3/c1-49-35-10-5-8-30(25-35)38-39(31-9-6-11-36(26-31)50-2)45(40(44-38)32-22-33(41(47)51-3)24-34(23-32)42(48)52-4)27-28-13-15-29(16-14-28)37(46)12-7-18-53-20-21-54-19-17-43;1-46-33-11-6-9-30(23-33)38-39(31-10-7-12-34(24-31)47-2)44(41(43-38)32-25-36(48-3)40(50-5)37(26-32)49-4)27-28-14-16-29(17-15-28)35(45)13-8-19-51-21-22-52-20-18-42;38-31-15-9-27(10-16-31)34-35(28-11-17-32(39)18-12-28)45(36(44-34)29-7-13-30(14-8-29)37(40,41)42)24-25-3-5-26(6-4-25)33(46)2-1-20-47-22-23-48-21-19-43;1-26-4-2-5-31(24-26)37-41-35(29-11-15-32(38)16-12-29)36(30-13-17-33(39)18-14-30)42(37)25-27-7-9-28(10-8-27)34(43)6-3-20-44-22-23-45-21-19-40/h5-6,8-11,13-16,22-26H,7,12,17-21,27,43H2,1-4H3;6-7,9-12,14-17,23-26H,8,13,18-22,27,42H2,1-5H3;3-18H,1-2,19-24,43H2;2,4-5,7-18,24H,3,6,19-23,25,40H2,1H3.

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

4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-(3-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(3-methoxyphenyl)imidazol-2-yl]benzene-1,3-dicarboxylate has a molecular weight of 2719.08 g/mol, XLogP of 29.07, 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-fluorophenyl)-2-(3-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;dimethyl 5-[1-[[4-[4-[2-(2-aminoethoxy)ethoxy]butanoyl]phenyl]methyl]-4,5-bis(3-methoxyphenyl)imidazol-2-yl]benzene-1,3-dicarboxylate is sourced from PubChem (CID 159197678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).