5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]thiolane-2,4-dione;5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]thiolane-2,4-dione;5-[[4-[(1,6-dimethylbenzimidazol-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]thiolane-2,4-dione;methane;5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione

C162H154N12O25S7 — CID 160837236

About 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]thiolane-2,4-dione;5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]thiolane-2,4-dione;5-[[4-[(1,6-dimethylbenzimidazol-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]thiolane-2,4-dione;methane;5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione

5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]thiolane-2,4-dione;5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]thiolane-2,4-dione;5-[[4-[(1,6-dimethylbenzimidazol-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]thiolane-2,4-dione;methane;5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione (PubChem CID 160837236) has the molecular formula C162H154N12O25S7 and a molecular weight of 2893.54 g/mol. Its IUPAC name is 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]thiolane-2,4-dione;5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]thiolane-2,4-dione;5-[[4-[(1,6-dimethylbenzimidazol-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]thiolane-2,4-dione;methane;5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione.

Molecular Properties

• Compound Name: 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]thiolane-2,4-dione;5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]thiolane-2,4-dione;5-[[4-[(1,6-dimethylbenzimidazol-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]thiolane-2,4-dione;methane;5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione
• PubChem CID: 160837236
• Molecular Formula: C162H154N12O25S7
• Molecular Weight: 2893.54 g/mol
• Exact Mass: 2890.92
• IUPAC Name: 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]thiolane-2,4-dione;5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]thiolane-2,4-dione;5-[[4-[(1,6-dimethylbenzimidazol-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]thiolane-2,4-dione;methane;5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione
• SMILES: C.Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)CC5=O)cc4)n(C)c3c2)cc(C)c1N.Cc1ccc(Oc2cc(N(C)CCOc3ccc(CC4SC(=O)CC4=O)cc3)ncn2)cc1.Cc1ccc2nc(COc3ccc(CC4SC(=O)CC4=O)cc3)n(C)c2c1.Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(CC2SC(=O)CC2=O)cc1.Cn1c(COc2ccc(CC3SC(=O)CC3=O)cc2)nc2ccccc2c1=O.O=C1CC(=O)C(Cc2ccc(OCCn3ccc4ccccc43)cc2)S1.O=C1CC(=O)C(Cc2ccc3c(c2)CCC(Cc2ccccc2)O3)S1
• InChI: InChI=1S/C28H27N3O4S.C25H25N3O4S.C24H21NO4S.C21H18N2O4S.C21H20N2O3S.C21H19NO3S.C21H20O3S.CH4/c1-16-10-21(11-17(2)28(16)29)35-20-8-9-22-23(13-20)31(3)26(30-22)15-34-19-6-4-18(5-7-19)12-25-24(32)14-27(33)36-25;1-17-3-7-20(8-4-17)32-24-15-23(26-16-27-24)28(2)11-12-31-19-9-5-18(6-10-19)13-22-21(29)14-25(30)33-22;1-15-19(25-24(29-15)18-5-3-2-4-6-18)11-12-20(26)17-9-7-16(8-10-17)13-22-21(27)14-23(28)30-22;1-23-19(22-16-5-3-2-4-15(16)21(23)26)12-27-14-8-6-13(7-9-14)10-18-17(24)11-20(25)28-18;1-13-3-8-16-17(9-13)23(2)20(22-16)12-26-15-6-4-14(5-7-15)10-19-18(24)11-21(25)27-19;23-19-14-21(24)26-20(19)13-15-5-7-17(8-6-15)25-12-11-22-10-9-16-3-1-2-4-18(16)22;22-18-13-21(23)25-20(18)12-15-6-9-19-16(10-15)7-8-17(24-19)11-14-4-2-1-3-5-14;/h4-11,13,25H,12,14-15,29H2,1-3H3;3-10,15-16,22H,11-14H2,1-2H3;2-10,22H,11-14H2,1H3;2-9,18H,10-12H2,1H3;3-9,19H,10-12H2,1-2H3;1-10,20H,11-14H2;1-6,9-10,17,20H,7-8,11-13H2;1H4
• InChIKey: SHOGHIQLPZJPFF-UHFFFAOYSA-N
• XLogP: 28.66
• TPSA: 486.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 44
• Rotatable Bonds: 43
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2893.54
LogP ≤ 5	28.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]thiolane-2,4-dione;5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]thiolane-2,4-dione;5-[[4-[(1,6-dimethylbenzimidazol-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]thiolane-2,4-dione;methane;5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione?

The IUPAC name of 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]thiolane-2,4-dione;5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]thiolane-2,4-dione;5-[[4-[(1,6-dimethylbenzimidazol-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]thiolane-2,4-dione;methane;5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione (CID 160837236) is 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]thiolane-2,4-dione;5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]thiolane-2,4-dione;5-[[4-[(1,6-dimethylbenzimidazol-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]thiolane-2,4-dione;methane;5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione.

What is the SMILES notation for 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]thiolane-2,4-dione;5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]thiolane-2,4-dione;5-[[4-[(1,6-dimethylbenzimidazol-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]thiolane-2,4-dione;methane;5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione?

The canonical SMILES for 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]thiolane-2,4-dione;5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]thiolane-2,4-dione;5-[[4-[(1,6-dimethylbenzimidazol-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]thiolane-2,4-dione;methane;5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione is C.Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)CC5=O)cc4)n(C)c3c2)cc(C)c1N.Cc1ccc(Oc2cc(N(C)CCOc3ccc(CC4SC(=O)CC4=O)cc3)ncn2)cc1.Cc1ccc2nc(COc3ccc(CC4SC(=O)CC4=O)cc3)n(C)c2c1.Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(CC2SC(=O)CC2=O)cc1.Cn1c(COc2ccc(CC3SC(=O)CC3=O)cc2)nc2ccccc2c1=O.O=C1CC(=O)C(Cc2ccc(OCCn3ccc4ccccc43)cc2)S1.O=C1CC(=O)C(Cc2ccc3c(c2)CCC(Cc2ccccc2)O3)S1.

What is the InChIKey of 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]thiolane-2,4-dione;5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]thiolane-2,4-dione;5-[[4-[(1,6-dimethylbenzimidazol-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]thiolane-2,4-dione;methane;5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione?

The InChIKey is SHOGHIQLPZJPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4S.C25H25N3O4S.C24H21NO4S.C21H18N2O4S.C21H20N2O3S.C21H19NO3S.C21H20O3S.CH4/c1-16-10-21(11-17(2)28(16)29)35-20-8-9-22-23(13-20)31(3)26(30-22)15-34-19-6-4-18(5-7-19)12-25-24(32)14-27(33)36-25;1-17-3-7-20(8-4-17)32-24-15-23(26-16-27-24)28(2)11-12-31-19-9-5-18(6-10-19)13-22-21(29)14-25(30)33-22;1-15-19(25-24(29-15)18-5-3-2-4-6-18)11-12-20(26)17-9-7-16(8-10-17)13-22-21(27)14-23(28)30-22;1-23-19(22-16-5-3-2-4-15(16)21(23)26)12-27-14-8-6-13(7-9-14)10-18-17(24)11-20(25)28-18;1-13-3-8-16-17(9-13)23(2)20(22-16)12-26-15-6-4-14(5-7-15)10-19-18(24)11-21(25)27-19;23-19-14-21(24)26-20(19)13-15-5-7-17(8-6-15)25-12-11-22-10-9-16-3-1-2-4-18(16)22;22-18-13-21(23)25-20(18)12-15-6-9-19-16(10-15)7-8-17(24-19)11-14-4-2-1-3-5-14;/h4-11,13,25H,12,14-15,29H2,1-3H3;3-10,15-16,22H,11-14H2,1-2H3;2-10,22H,11-14H2,1H3;2-9,18H,10-12H2,1H3;3-9,19H,10-12H2,1-2H3;1-10,20H,11-14H2;1-6,9-10,17,20H,7-8,11-13H2;1H4.

What are the key properties of 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]thiolane-2,4-dione;5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]thiolane-2,4-dione;5-[[4-[(1,6-dimethylbenzimidazol-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]thiolane-2,4-dione;methane;5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione?

5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]thiolane-2,4-dione;5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]thiolane-2,4-dione;5-[[4-[(1,6-dimethylbenzimidazol-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]thiolane-2,4-dione;methane;5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione has a molecular weight of 2893.54 g/mol, XLogP of 28.66, 43 rotatable bonds, 1 hydrogen bond donors, and 44 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]thiolane-2,4-dione;5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]thiolane-2,4-dione;5-[[4-[(1,6-dimethylbenzimidazol-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]thiolane-2,4-dione;methane;5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]thiolane-2,4-dione;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione is sourced from PubChem (CID 160837236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).