C216H197Cl4F18N15O22 — CID 160988753
4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-chlorophenyl)-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-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-N-methylbenzamide;1-[4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-methoxybutan-1-one;2-methoxyethyl 4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzoate;methyl 4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzoate (PubChem CID 160988753) has the molecular formula C216H197Cl4F18N15O22 and a molecular weight of 3838.81 g/mol. Its IUPAC name is 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-chlorophenyl)-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-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-N-methylbenzamide;1-[4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-methoxybutan-1-one;2-methoxyethyl 4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzoate;methyl 4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzoate.
| Compound Name | 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-chlorophenyl)-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-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-N-methylbenzamide;1-[4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-methoxybutan-1-one;2-methoxyethyl 4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzoate;methyl 4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzoate |
|---|---|
| PubChem CID | 160988753 |
| Molecular Formula | C216H197Cl4F18N15O22 |
| Molecular Weight | 3838.81 g/mol |
| Exact Mass | 3834.32 |
| IUPAC Name | 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-chlorophenyl)-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-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-N-methylbenzamide;1-[4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-methoxybutan-1-one;2-methoxyethyl 4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzoate;methyl 4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzoate |
| SMILES | CNC(=O)c1ccc(Cn2c(-c3cc(C)cc(C(F)(F)F)c3)nc(-c3ccc(CO)cc3)c2-c2ccc(OC)cc2)cc1.COC(=O)c1ccc(Cn2c(-c3cc(C)cc(C(F)(F)F)c3)nc(-c3ccc(CO)cc3)c2-c2ccc(OC)cc2)cc1.COCCCC(=O)c1ccc(Cn2c(-c3cc(C)cc(C(F)(F)F)c3)nc(-c3ccc(CO)cc3)c2-c2ccc(OC)cc2)cc1.COCCOC(=O)c1ccc(Cn2c(-c3cc(C)cc(C(F)(F)F)c3)nc(-c3ccc(CO)cc3)c2-c2ccc(OC)cc2)cc1.Cc1cc(-c2nc(-c3ccccc3Cl)c(-c3ccccc3Cl)n2Cc2ccc(C(=O)CCCOCCOCCN)cc2)cc(C(F)(F)F)c1.NCCOCCOCCCC(=O)c1ccc(Cn2c(-c3cccc(C(F)(F)F)c3)nc(-c3ccccc3Cl)c2-c2ccccc2Cl)cc1 |
| InChI | InChI=1S/C38H36Cl2F3N3O3.C37H34Cl2F3N3O3.C37H35F3N2O4.C36H33F3N2O5.C34H30F3N3O3.C34H29F3N2O4/c1-25-21-28(23-29(22-25)38(41,42)43)37-45-35(30-7-2-4-9-32(30)39)36(31-8-3-5-10-33(31)40)46(37)24-26-12-14-27(15-13-26)34(47)11-6-17-48-19-20-49-18-16-44;38-31-11-3-1-9-29(31)34-35(30-10-2-4-12-32(30)39)45(36(44-34)27-7-5-8-28(23-27)37(40,41)42)24-25-14-16-26(17-15-25)33(46)13-6-19-47-21-22-48-20-18-43;1-24-19-30(21-31(20-24)37(38,39)40)36-41-34(28-12-8-26(23-43)9-13-28)35(29-14-16-32(46-3)17-15-29)42(36)22-25-6-10-27(11-7-25)33(44)5-4-18-45-2;1-23-18-29(20-30(19-23)36(37,38)39)34-40-32(26-8-6-25(22-42)7-9-26)33(27-12-14-31(45-3)15-13-27)41(34)21-24-4-10-28(11-5-24)35(43)46-17-16-44-2;1-21-16-27(18-28(17-21)34(35,36)37)32-39-30(24-8-6-23(20-41)7-9-24)31(25-12-14-29(43-3)15-13-25)40(32)19-22-4-10-26(11-5-22)33(42)38-2;1-21-16-27(18-28(17-21)34(35,36)37)32-38-30(24-8-6-23(20-40)7-9-24)31(25-12-14-29(42-2)15-13-25)39(32)19-22-4-10-26(11-5-22)33(41)43-3/h2-5,7-10,12-15,21-23H,6,11,16-20,24,44H2,1H3;1-5,7-12,14-17,23H,6,13,18-22,24,43H2;6-17,19-21,43H,4-5,18,22-23H2,1-3H3;4-15,18-20,42H,16-17,21-22H2,1-3H3;4-18,41H,19-20H2,1-3H3,(H,38,42);4-18,40H,19-20H2,1-3H3 |
| InChIKey | TUILQJGPVIINKE-UHFFFAOYSA-N |
| XLogP | 49.33 |
| TPSA | 465.09 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 69 |
| Heavy Atoms | 275 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3838.81 |
| LogP ≤ 5 | 49.33 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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