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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione

C237H243N25O38S9 — CID 159117727

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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione
SMILESCc1cc(C)c(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c(C)c1O.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c(C)c(C)c1O.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c(C)cc1O.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1O.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)ccc1O.Cn1c(COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc21.Cn1c(COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc2ccc(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc21
InChIInChI=1S/C34H39N3O5S.C34H39N3O4S2.2C29H29N3O5S.C28H28N4O4S.2C28H27N3O5S.C27H25N3O5S/c2*1-32(2,3)24-15-23(16-25(29(24)38)33(4,5)6)42-22-13-14-26-27(17-22)37(8)28(35-26)19-41-21-11-9-20(10-12-21)18-34(7)30(39)36-31(40)43-34;1-16-12-24(17(2)18(3)26(16)33)37-21-10-11-22-23(13-21)32(5)25(30-22)15-36-20-8-6-19(7-9-20)14-29(4)27(34)31-28(35)38-29;1-16-12-17(2)26(18(3)25(16)33)37-21-10-11-22-23(13-21)32(5)24(30-22)15-36-20-8-6-19(7-9-20)14-29(4)27(34)31-28(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;1-16-12-24(17(2)11-23(16)32)36-20-9-10-21-22(13-20)31(4)25(29-21)15-35-19-7-5-18(6-8-19)14-28(3)26(33)30-27(34)37-28;1-16-11-21(12-17(2)25(16)32)36-20-9-10-22-23(13-20)31(4)24(29-22)15-35-19-7-5-18(6-8-19)14-28(3)26(33)30-27(34)37-28;1-16-12-19(9-11-23(16)31)35-20-8-10-21-22(13-20)30(3)24(28-21)15-34-18-6-4-17(5-7-18)14-27(2)25(32)29-26(33)36-27/h2*9-17,38H,18-19H2,1-8H3,(H,36,39,40);2*6-13,33H,14-15H2,1-5H3,(H,31,34,35);5-13H,14-15,29H2,1-4H3,(H,31,33,34);2*5-13,32H,14-15H2,1-4H3,(H,30,33,34);4-13,31H,14-15H2,1-3H3,(H,29,32,33)
InChIKeyKFHHHDRMQABRQG-UHFFFAOYSA-N
MW4338.29 g/mol
LogP48.91
Rot. Bonds56

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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 159117727) has the molecular formula C237H243N25O38S9 and a molecular weight of 4338.29 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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione
PubChem CID159117727
Molecular FormulaC237H243N25O38S9
Molecular Weight4338.29 g/mol
Exact Mass4334.53
IUPAC Name5-[[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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione
SMILESCc1cc(C)c(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c(C)c1O.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c(C)c(C)c1O.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c(C)cc1O.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1O.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)ccc1O.Cn1c(COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc21.Cn1c(COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc2ccc(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc21
InChIInChI=1S/C34H39N3O5S.C34H39N3O4S2.2C29H29N3O5S.C28H28N4O4S.2C28H27N3O5S.C27H25N3O5S/c2*1-32(2,3)24-15-23(16-25(29(24)38)33(4,5)6)42-22-13-14-26-27(17-22)37(8)28(35-26)19-41-21-11-9-20(10-12-21)18-34(7)30(39)36-31(40)43-34;1-16-12-24(17(2)18(3)26(16)33)37-21-10-11-22-23(13-21)32(5)25(30-22)15-36-20-8-6-19(7-9-20)14-29(4)27(34)31-28(35)38-29;1-16-12-17(2)26(18(3)25(16)33)37-21-10-11-22-23(13-21)32(5)24(30-22)15-36-20-8-6-19(7-9-20)14-29(4)27(34)31-28(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;1-16-12-24(17(2)11-23(16)32)36-20-9-10-21-22(13-20)31(4)25(29-21)15-35-19-7-5-18(6-8-19)14-28(3)26(33)30-27(34)37-28;1-16-11-21(12-17(2)25(16)32)36-20-9-10-22-23(13-20)31(4)24(29-22)15-35-19-7-5-18(6-8-19)14-28(3)26(33)30-27(34)37-28;1-16-12-19(9-11-23(16)31)35-20-8-10-21-22(13-20)30(3)24(28-21)15-34-18-6-4-17(5-7-18)14-27(2)25(32)29-26(33)36-27/h2*9-17,38H,18-19H2,1-8H3,(H,36,39,40);2*6-13,33H,14-15H2,1-5H3,(H,31,34,35);5-13H,14-15,29H2,1-4H3,(H,31,33,34);2*5-13,32H,14-15H2,1-4H3,(H,30,33,34);4-13,31H,14-15H2,1-3H3,(H,29,32,33)
InChIKeyKFHHHDRMQABRQG-UHFFFAOYSA-N
XLogP48.91
TPSA818.00 Ų
H-Bond Donors16
H-Bond Acceptors64
Rotatable Bonds56
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004338.29
LogP ≤ 548.91
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1064

Analyze 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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione with MolForge

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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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione (CID 159117727) 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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione is Cc1cc(C)c(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c(C)c1O.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c(C)c(C)c1O.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)c(C)cc1O.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1O.Cc1cc(Oc2ccc3nc(COc4ccc(CC5(C)SC(=O)NC5=O)cc4)n(C)c3c2)ccc1O.Cn1c(COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc21.Cn1c(COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc2ccc(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc21.
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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is KFHHHDRMQABRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O5S.C34H39N3O4S2.2C29H29N3O5S.C28H28N4O4S.2C28H27N3O5S.C27H25N3O5S/c2*1-32(2,3)24-15-23(16-25(29(24)38)33(4,5)6)42-22-13-14-26-27(17-22)37(8)28(35-26)19-41-21-11-9-20(10-12-21)18-34(7)30(39)36-31(40)43-34;1-16-12-24(17(2)18(3)26(16)33)37-21-10-11-22-23(13-21)32(5)25(30-22)15-36-20-8-6-19(7-9-20)14-29(4)27(34)31-28(35)38-29;1-16-12-17(2)26(18(3)25(16)33)37-21-10-11-22-23(13-21)32(5)24(30-22)15-36-20-8-6-19(7-9-20)14-29(4)27(34)31-28(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;1-16-12-24(17(2)11-23(16)32)36-20-9-10-21-22(13-20)31(4)25(29-21)15-35-19-7-5-18(6-8-19)14-28(3)26(33)30-27(34)37-28;1-16-11-21(12-17(2)25(16)32)36-20-9-10-22-23(13-20)31(4)24(29-22)15-35-19-7-5-18(6-8-19)14-28(3)26(33)30-27(34)37-28;1-16-12-19(9-11-23(16)31)35-20-8-10-21-22(13-20)30(3)24(28-21)15-34-18-6-4-17(5-7-18)14-27(2)25(32)29-26(33)36-27/h2*9-17,38H,18-19H2,1-8H3,(H,36,39,40);2*6-13,33H,14-15H2,1-5H3,(H,31,34,35);5-13H,14-15,29H2,1-4H3,(H,31,33,34);2*5-13,32H,14-15H2,1-4H3,(H,30,33,34);4-13,31H,14-15H2,1-3H3,(H,29,32,33).
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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 4338.29 g/mol, XLogP of 48.91, 56 rotatable bonds, 16 hydrogen bond donors, and 64 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-(3,5-ditert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(3-hydroxy-2,4,6-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[[6-(4-hydroxy-2,3,5-trimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 159117727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).