3-(5-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[(5S)-5-(2-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(3-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C125H152N18O25 — CID 162203895

About 3-(5-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[(5S)-5-(2-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(3-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

3-(5-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[(5S)-5-(2-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(3-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 162203895) has the molecular formula C125H152N18O25 and a molecular weight of 2306.69 g/mol. Its IUPAC name is 3-(5-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[(5S)-5-(2-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(3-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-(5-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[(5S)-5-(2-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(3-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• PubChem CID: 162203895
• Molecular Formula: C125H152N18O25
• Molecular Weight: 2306.69 g/mol
• Exact Mass: 2305.12
• IUPAC Name: 3-(5-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[(5S)-5-(2-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(3-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• SMILES: CC(C)(C)c1ccc([C@H]2CN(C3CCC(=O)NC3=O)C(=O)O2)cc1.CC(C)(C)c1cccc([C@H]2CN(C3CCC(=O)NC3=O)C(=O)O2)c1.CC(C)(C)c1ccccc1[C@H]1CN(C2CCC(=O)NC2=O)C(=O)O1.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C#CC(C)(C)C)cc21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C(C)(C)C)cc21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(CC(C)(C)C)cc21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(OC(C)(C)C)cc21
• InChI: InChI=1S/C19H21N3O3.C18H23N3O3.3C18H22N2O4.C17H21N3O4.C17H21N3O3/c1-19(2,3)10-9-12-5-6-13-15(11-12)21(4)18(25)22(13)14-7-8-16(23)20-17(14)24;1-18(2,3)10-11-5-6-12-14(9-11)20(4)17(24)21(12)13-7-8-15(22)19-16(13)23;1-18(2,3)12-6-4-11(5-7-12)14-10-20(17(23)24-14)13-8-9-15(21)19-16(13)22;1-18(2,3)12-6-4-5-11(9-12)14-10-20(17(23)24-14)13-7-8-15(21)19-16(13)22;1-18(2,3)12-7-5-4-6-11(12)14-10-20(17(23)24-14)13-8-9-15(21)19-16(13)22;1-17(2,3)24-10-5-6-11-13(9-10)19(4)16(23)20(11)12-7-8-14(21)18-15(12)22;1-17(2,3)10-5-6-11-13(9-10)19(4)16(23)20(11)12-7-8-14(21)18-15(12)22/h5-6,11,14H,7-8H2,1-4H3,(H,20,23,24);5-6,9,13H,7-8,10H2,1-4H3,(H,19,22,23);4-7,13-14H,8-10H2,1-3H3,(H,19,21,22);4-6,9,13-14H,7-8,10H2,1-3H3,(H,19,21,22);4-7,13-14H,8-10H2,1-3H3,(H,19,21,22);5-6,9,12H,7-8H2,1-4H3,(H,18,21,22);5-6,9,12H,7-8H2,1-4H3,(H,18,21,22)/t;;3*13?,14-;;/m..111../s1
• InChIKey: ZRYCVHQJLAAEPL-FQVPLHHZSA-N
• XLogP: 13.58
• TPSA: 528.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 12
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2306.69
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[(5S)-5-(2-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(3-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-(5-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[(5S)-5-(2-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(3-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 162203895) is 3-(5-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[(5S)-5-(2-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(3-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-(5-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[(5S)-5-(2-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(3-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The canonical SMILES for 3-(5-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[(5S)-5-(2-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(3-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is CC(C)(C)c1ccc([C@H]2CN(C3CCC(=O)NC3=O)C(=O)O2)cc1.CC(C)(C)c1cccc([C@H]2CN(C3CCC(=O)NC3=O)C(=O)O2)c1.CC(C)(C)c1ccccc1[C@H]1CN(C2CCC(=O)NC2=O)C(=O)O1.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C#CC(C)(C)C)cc21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C(C)(C)C)cc21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(CC(C)(C)C)cc21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(OC(C)(C)C)cc21.

What is the InChIKey of 3-(5-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[(5S)-5-(2-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(3-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The InChIKey is ZRYCVHQJLAAEPL-FQVPLHHZSA-N. The full InChI is InChI=1S/C19H21N3O3.C18H23N3O3.3C18H22N2O4.C17H21N3O4.C17H21N3O3/c1-19(2,3)10-9-12-5-6-13-15(11-12)21(4)18(25)22(13)14-7-8-16(23)20-17(14)24;1-18(2,3)10-11-5-6-12-14(9-11)20(4)17(24)21(12)13-7-8-15(22)19-16(13)23;1-18(2,3)12-6-4-11(5-7-12)14-10-20(17(23)24-14)13-8-9-15(21)19-16(13)22;1-18(2,3)12-6-4-5-11(9-12)14-10-20(17(23)24-14)13-7-8-15(21)19-16(13)22;1-18(2,3)12-7-5-4-6-11(12)14-10-20(17(23)24-14)13-8-9-15(21)19-16(13)22;1-17(2,3)24-10-5-6-11-13(9-10)19(4)16(23)20(11)12-7-8-14(21)18-15(12)22;1-17(2,3)10-5-6-11-13(9-10)19(4)16(23)20(11)12-7-8-14(21)18-15(12)22/h5-6,11,14H,7-8H2,1-4H3,(H,20,23,24);5-6,9,13H,7-8,10H2,1-4H3,(H,19,22,23);4-7,13-14H,8-10H2,1-3H3,(H,19,21,22);4-6,9,13-14H,7-8,10H2,1-3H3,(H,19,21,22);4-7,13-14H,8-10H2,1-3H3,(H,19,21,22);5-6,9,12H,7-8H2,1-4H3,(H,18,21,22);5-6,9,12H,7-8H2,1-4H3,(H,18,21,22)/t;;3*13?,14-;;/m..111../s1.

What are the key properties of 3-(5-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[(5S)-5-(2-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(3-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

3-(5-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[(5S)-5-(2-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(3-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 2306.69 g/mol, XLogP of 13.58, 12 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[(5S)-5-(2-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(3-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 162203895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).