5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
C240H255N31O32S8 — CID 158315105
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCC(C)CN(C)c1ccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc1.CC(C)CN(C)c1cccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c1.CC(C)CNc1ccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc1.CC(C)Cc1cccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c1.CC(C)Nc1ccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc1.CCC(C)Nc1ccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc1.CCN(c1cccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c1)C(C)C.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N
InChIInChI=1S/3C31H34N4O4S.2C30H32N4O4S.C30H31N3O4S.C29H30N4O4S.C28H28N4O4S/c1-20(2)18-34(4)22-8-12-24(13-9-22)39-25-14-15-26-27(16-25)35(5)28(32-26)19-38-23-10-6-21(7-11-23)17-31(3)29(36)33-30(37)40-31;1-20(2)18-34(4)22-7-6-8-24(15-22)39-25-13-14-26-27(16-25)35(5)28(32-26)19-38-23-11-9-21(10-12-23)17-31(3)29(36)33-30(37)40-31;1-6-35(20(2)3)22-8-7-9-24(16-22)39-25-14-15-26-27(17-25)34(5)28(32-26)19-38-23-12-10-21(11-13-23)18-31(4)29(36)33-30(37)40-31;1-19(2)17-31-21-7-11-23(12-8-21)38-24-13-14-25-26(15-24)34(4)27(32-25)18-37-22-9-5-20(6-10-22)16-30(3)28(35)33-29(36)39-30;1-5-19(2)31-21-8-12-23(13-9-21)38-24-14-15-25-26(16-24)34(4)27(32-25)18-37-22-10-6-20(7-11-22)17-30(3)28(35)33-29(36)39-30;1-19(2)14-21-6-5-7-23(15-21)37-24-12-13-25-26(16-24)33(4)27(31-25)18-36-22-10-8-20(9-11-22)17-30(3)28(34)32-29(35)38-30;1-18(2)30-20-7-11-22(12-8-20)37-23-13-14-24-25(15-23)33(4)26(31-24)17-36-21-9-5-19(6-10-21)16-29(3)27(34)32-28(35)38-29;1-16-11-21(12-17(2)25(16)29)36-20-9-10-22-23(13-20)32(4)24(30-22)15-35-19-7-5-18(6-8-19)14-28(3)26(33)31-27(34)37-28/h2*6-16,20H,17-19H2,1-5H3,(H,33,36,37);7-17,20H,6,18-19H2,1-5H3,(H,33,36,37);5-15,19,31H,16-18H2,1-4H3,(H,33,35,36);6-16,19,31H,5,17-18H2,1-4H3,(H,33,35,36);5-13,15-16,19H,14,17-18H2,1-4H3,(H,32,34,35);5-15,18,30H,16-17H2,1-4H3,(H,32,34,35);5-13H,14-15,29H2,1-4H3,(H,31,33,34)
InChIKeyGOEBANAAHLYEFU-UHFFFAOYSA-N
MW4342.40 g/mol
LogP49.75
Rot. Bonds75
About 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 158315105) has the molecular formula C240H255N31O32S8 and a molecular weight of 4342.40 g/mol. Its IUPAC name is 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
Molecular Properties
| Compound Name | 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione |
|---|---|
| PubChem CID | 158315105 |
| Molecular Formula | C240H255N31O32S8 |
| Molecular Weight | 4342.40 g/mol |
| Exact Mass | 4338.70 |
| IUPAC Name | 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione |
| SMILES | CC(C)CN(C)c1ccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc1.CC(C)CN(C)c1cccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c1.CC(C)CNc1ccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc1.CC(C)Cc1cccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c1.CC(C)Nc1ccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc1.CCC(C)Nc1ccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc1.CCN(c1cccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c1)C(C)C.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N |
| InChI | InChI=1S/3C31H34N4O4S.2C30H32N4O4S.C30H31N3O4S.C29H30N4O4S.C28H28N4O4S/c1-20(2)18-34(4)22-8-12-24(13-9-22)39-25-14-15-26-27(16-25)35(5)28(32-26)19-38-23-10-6-21(7-11-23)17-31(3)29(36)33-30(37)40-31;1-20(2)18-34(4)22-7-6-8-24(15-22)39-25-13-14-26-27(16-25)35(5)28(32-26)19-38-23-11-9-21(10-12-23)17-31(3)29(36)33-30(37)40-31;1-6-35(20(2)3)22-8-7-9-24(16-22)39-25-14-15-26-27(17-25)34(5)28(32-26)19-38-23-12-10-21(11-13-23)18-31(4)29(36)33-30(37)40-31;1-19(2)17-31-21-7-11-23(12-8-21)38-24-13-14-25-26(15-24)34(4)27(32-25)18-37-22-9-5-20(6-10-22)16-30(3)28(35)33-29(36)39-30;1-5-19(2)31-21-8-12-23(13-9-21)38-24-14-15-25-26(16-24)34(4)27(32-25)18-37-22-10-6-20(7-11-22)17-30(3)28(35)33-29(36)39-30;1-19(2)14-21-6-5-7-23(15-21)37-24-12-13-25-26(16-24)33(4)27(31-25)18-36-22-10-8-20(9-11-22)17-30(3)28(34)32-29(35)38-30;1-18(2)30-20-7-11-22(12-8-20)37-23-13-14-24-25(15-23)33(4)26(31-24)17-36-21-9-5-19(6-10-21)16-29(3)27(34)32-28(35)38-29;1-16-11-21(12-17(2)25(16)29)36-20-9-10-22-23(13-20)32(4)24(30-22)15-35-19-7-5-18(6-8-19)14-28(3)26(33)31-27(34)37-28/h2*6-16,20H,17-19H2,1-5H3,(H,33,36,37);7-17,20H,6,18-19H2,1-5H3,(H,33,36,37);5-15,19,31H,16-18H2,1-4H3,(H,33,35,36);6-16,19,31H,5,17-18H2,1-4H3,(H,33,35,36);5-13,15-16,19H,14,17-18H2,1-4H3,(H,32,34,35);5-15,18,30H,16-17H2,1-4H3,(H,32,34,35);5-13H,14-15,29H2,1-4H3,(H,31,33,34) |
| InChIKey | GOEBANAAHLYEFU-UHFFFAOYSA-N |
| XLogP | 49.75 |
| TPSA | 731.43 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 63 |
| Rotatable Bonds | 75 |
| Heavy Atoms | 311 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4342.40 |
| LogP ≤ 5 | 49.75 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 63 |
Frequently Asked Questions
What is the IUPAC name of 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 158315105) is 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CC(C)CN(C)c1ccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc1.CC(C)CN(C)c1cccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c1.CC(C)CNc1ccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc1.CC(C)Cc1cccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c1.CC(C)Nc1ccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc1.CCC(C)Nc1ccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc1.CCN(c1cccc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c1)C(C)C.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N.
What is the InChIKey of 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is GOEBANAAHLYEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C31H34N4O4S.2C30H32N4O4S.C30H31N3O4S.C29H30N4O4S.C28H28N4O4S/c1-20(2)18-34(4)22-8-12-24(13-9-22)39-25-14-15-26-27(16-25)35(5)28(32-26)19-38-23-10-6-21(7-11-23)17-31(3)29(36)33-30(37)40-31;1-20(2)18-34(4)22-7-6-8-24(15-22)39-25-13-14-26-27(16-25)35(5)28(32-26)19-38-23-11-9-21(10-12-23)17-31(3)29(36)33-30(37)40-31;1-6-35(20(2)3)22-8-7-9-24(16-22)39-25-14-15-26-27(17-25)34(5)28(32-26)19-38-23-12-10-21(11-13-23)18-31(4)29(36)33-30(37)40-31;1-19(2)17-31-21-7-11-23(12-8-21)38-24-13-14-25-26(15-24)34(4)27(32-25)18-37-22-9-5-20(6-10-22)16-30(3)28(35)33-29(36)39-30;1-5-19(2)31-21-8-12-23(13-9-21)38-24-14-15-25-26(16-24)34(4)27(32-25)18-37-22-10-6-20(7-11-22)17-30(3)28(35)33-29(36)39-30;1-19(2)14-21-6-5-7-23(15-21)37-24-12-13-25-26(16-24)33(4)27(31-25)18-36-22-10-8-20(9-11-22)17-30(3)28(34)32-29(35)38-30;1-18(2)30-20-7-11-22(12-8-20)37-23-13-14-24-25(15-23)33(4)26(31-24)17-36-21-9-5-19(6-10-21)16-29(3)27(34)32-28(35)38-29;1-16-11-21(12-17(2)25(16)29)36-20-9-10-22-23(13-20)32(4)24(30-22)15-35-19-7-5-18(6-8-19)14-28(3)26(33)31-27(34)37-28/h2*6-16,20H,17-19H2,1-5H3,(H,33,36,37);7-17,20H,6,18-19H2,1-5H3,(H,33,36,37);5-15,19,31H,16-18H2,1-4H3,(H,33,35,36);6-16,19,31H,5,17-18H2,1-4H3,(H,33,35,36);5-13,15-16,19H,14,17-18H2,1-4H3,(H,32,34,35);5-15,18,30H,16-17H2,1-4H3,(H,32,34,35);5-13H,14-15,29H2,1-4H3,(H,31,33,34).
What are the key properties of 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 4342.40 g/mol, XLogP of 49.75, 75 rotatable bonds, 12 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[4-(butan-2-ylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-[3-[ethyl(propan-2-yl)amino]phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-[methyl(2-methylpropyl)amino]phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(2-methylpropylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[3-(2-methylpropyl)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-methyl-5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 158315105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158315105 — identifiers, structure, computed properties (public domain)
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