(5R)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile;4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile

C252H246N30O34S8 — CID 157113783

About (5R)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile;4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile

(5R)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile;4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile (PubChem CID 157113783) has the molecular formula C252H246N30O34S8 and a molecular weight of 4495.45 g/mol. Its IUPAC name is (5R)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile;4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile.

Molecular Properties

• Compound Name: (5R)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile;4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile
• PubChem CID: 157113783
• Molecular Formula: C252H246N30O34S8
• Molecular Weight: 4495.45 g/mol
• Exact Mass: 4491.62
• IUPAC Name: (5R)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile;4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile
• SMILES: Cn1c(COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3cc(C(C)(C)C)c(O)cc3C(C)(C)C)cc21.Cn1c(COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(-n4ccnc4)cc3)cc21.Cn1c(COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(C#N)cc3)cc21.Cn1c(COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc21.Cn1c(COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3cc(C(C)(C)C)c(O)cc3C(C)(C)C)cc21.Cn1c(COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(-n4ccnc4)cc3)cc21.Cn1c(COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(C#N)cc3)cc21.Cn1c(COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc21
• InChI: InChI=1S/2C36H37N3O4S.2C34H39N3O5S.2C29H25N5O4S.2C27H22N4O4S/c2*1-35(33(40)38-34(41)44-35)17-22-3-7-27(8-4-22)42-21-32-37-30-12-11-29(16-31(30)39(32)2)43-28-9-5-26(6-10-28)36-18-23-13-24(19-36)15-25(14-23)20-36;2*1-32(2,3)23-17-28(24(16-27(23)38)33(4,5)6)42-22-13-14-25-26(15-22)37(8)29(35-25)19-41-21-11-9-20(10-12-21)18-34(7)30(39)36-31(40)43-34;2*1-29(27(35)32-28(36)39-29)16-19-3-7-21(8-4-19)37-17-26-31-24-12-11-23(15-25(24)33(26)2)38-22-9-5-20(6-10-22)34-14-13-30-18-34;2*1-27(25(32)30-26(33)36-27)14-17-3-7-19(8-4-17)34-16-24-29-22-12-11-21(13-23(22)31(24)2)35-20-9-5-18(15-28)6-10-20/h2*3-12,16,23-25H,13-15,17-21H2,1-2H3,(H,38,40,41);2*9-17,38H,18-19H2,1-8H3,(H,36,39,40);2*3-15,18H,16-17H2,1-2H3,(H,32,35,36);2*3-13H,14,16H2,1-2H3,(H,30,32,33)/t2*23?,24?,25?,35-,36?;2*34-;2*29-;2*27-/m10101010/s1
• InChIKey: AHDQSJARWSCSFU-YVFZUEQVSA-N
• XLogP: 51.48
• TPSA: 783.28 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 64
• Rotatable Bonds: 60
• Heavy Atoms: 324
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4495.45
LogP ≤ 5	51.48
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile;4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile?

The IUPAC name of (5R)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile;4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile (CID 157113783) is (5R)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile;4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile.

What is the SMILES notation for (5R)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile;4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile?

The canonical SMILES for (5R)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile;4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile is Cn1c(COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3cc(C(C)(C)C)c(O)cc3C(C)(C)C)cc21.Cn1c(COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(-n4ccnc4)cc3)cc21.Cn1c(COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(C#N)cc3)cc21.Cn1c(COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc21.Cn1c(COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3cc(C(C)(C)C)c(O)cc3C(C)(C)C)cc21.Cn1c(COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(-n4ccnc4)cc3)cc21.Cn1c(COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(C#N)cc3)cc21.Cn1c(COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc21.

What is the InChIKey of (5R)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile;4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile?

The InChIKey is AHDQSJARWSCSFU-YVFZUEQVSA-N. The full InChI is InChI=1S/2C36H37N3O4S.2C34H39N3O5S.2C29H25N5O4S.2C27H22N4O4S/c2*1-35(33(40)38-34(41)44-35)17-22-3-7-27(8-4-22)42-21-32-37-30-12-11-29(16-31(30)39(32)2)43-28-9-5-26(6-10-28)36-18-23-13-24(19-36)15-25(14-23)20-36;2*1-32(2,3)23-17-28(24(16-27(23)38)33(4,5)6)42-22-13-14-25-26(15-22)37(8)29(35-25)19-41-21-11-9-20(10-12-21)18-34(7)30(39)36-31(40)43-34;2*1-29(27(35)32-28(36)39-29)16-19-3-7-21(8-4-19)37-17-26-31-24-12-11-23(15-25(24)33(26)2)38-22-9-5-20(6-10-22)34-14-13-30-18-34;2*1-27(25(32)30-26(33)36-27)14-17-3-7-19(8-4-17)34-16-24-29-22-12-11-21(13-23(22)31(24)2)35-20-9-5-18(15-28)6-10-20/h2*3-12,16,23-25H,13-15,17-21H2,1-2H3,(H,38,40,41);2*9-17,38H,18-19H2,1-8H3,(H,36,39,40);2*3-15,18H,16-17H2,1-2H3,(H,32,35,36);2*3-13H,14,16H2,1-2H3,(H,30,32,33)/t2*23?,24?,25?,35-,36?;2*34-;2*29-;2*27-/m10101010/s1.

What are the key properties of (5R)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile;4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile?

(5R)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile;4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile has a molecular weight of 4495.45 g/mol, XLogP of 51.48, 60 rotatable bonds, 10 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-[4-(1-adamantyl)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(2,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[[6-(4-imidazol-1-ylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile;4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxybenzonitrile is sourced from PubChem (CID 157113783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).