3-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(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

C108H130N18O19 — CID 163597674

About 3-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(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-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(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 163597674) has the molecular formula C108H130N18O19 and a molecular weight of 1984.33 g/mol. Its IUPAC name is 3-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(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-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(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: 163597674
• Molecular Formula: C108H130N18O19
• Molecular Weight: 1984.33 g/mol
• Exact Mass: 1982.98
• IUPAC Name: 3-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(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: Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C#CC(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(CC(C)(C)C)cc21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(OC(C)(C)C)cc21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C#CC(C)(C)C)c21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C(C)(C)C)c21
• InChI: InChI=1S/2C19H21N3O3.2C18H23N3O3.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;1-19(2,3)11-10-12-6-5-7-13-16(12)21(4)18(25)22(13)14-8-9-15(23)20-17(14)24;2*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;1-17(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)10-6-5-7-11-14(10)19(4)16(23)20(11)12-8-9-13(21)18-15(12)22/h5-6,11,14H,7-8H2,1-4H3,(H,20,23,24);5-7,14H,8-9H2,1-4H3,(H,20,23,24);2*5-6,9,13H,7-8,10H2,1-4H3,(H,19,22,23);5-6,9,12H,7-8H2,1-4H3,(H,18,21,22);5-7,12H,8-9H2,1-4H3,(H,18,21,22)
• InChIKey: GUWWVXHQMXMBHM-UHFFFAOYSA-N
• XLogP: 10.35
• TPSA: 447.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 9
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1984.33
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(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-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(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 163597674) is 3-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(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-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(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-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(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 Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C#CC(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(CC(C)(C)C)cc21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(OC(C)(C)C)cc21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C#CC(C)(C)C)c21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C(C)(C)C)c21.

What is the InChIKey of 3-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(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 GUWWVXHQMXMBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H21N3O3.2C18H23N3O3.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;1-19(2,3)11-10-12-6-5-7-13-16(12)21(4)18(25)22(13)14-8-9-15(23)20-17(14)24;2*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;1-17(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)10-6-5-7-11-14(10)19(4)16(23)20(11)12-8-9-13(21)18-15(12)22/h5-6,11,14H,7-8H2,1-4H3,(H,20,23,24);5-7,14H,8-9H2,1-4H3,(H,20,23,24);2*5-6,9,13H,7-8,10H2,1-4H3,(H,19,22,23);5-6,9,12H,7-8H2,1-4H3,(H,18,21,22);5-7,12H,8-9H2,1-4H3,(H,18,21,22).

What are the key properties of 3-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(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-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(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 1984.33 g/mol, XLogP of 10.35, 9 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(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 163597674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).