3-[4-(tert-butylamino)-3-methyl-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-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C105H129N19O19 — CID 162207788

About 3-[4-(tert-butylamino)-3-methyl-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-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

3-[4-(tert-butylamino)-3-methyl-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-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 162207788) has the molecular formula C105H129N19O19 and a molecular weight of 1961.30 g/mol. Its IUPAC name is 3-[4-(tert-butylamino)-3-methyl-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-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-(tert-butylamino)-3-methyl-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-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• PubChem CID: 162207788
• Molecular Formula: C105H129N19O19
• Molecular Weight: 1961.30 g/mol
• Exact Mass: 1959.97
• IUPAC Name: 3-[4-(tert-butylamino)-3-methyl-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-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• SMILES: CC(C)Cc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O.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.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CC(C)(C)C)c21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(NC(C)(C)C)c21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(OC(C)(C)C)c21
• InChI: InChI=1S/C19H21N3O3.C18H23N3O3.C17H22N4O3.C17H21N3O4.2C17H21N3O3/c1-19(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;1-18(2,3)10-11-6-5-7-12-15(11)20(4)17(24)21(12)13-8-9-14(22)19-16(13)23;1-17(2,3)19-10-6-5-7-11-14(10)20(4)16(24)21(11)12-8-9-13(22)18-15(12)23;1-17(2,3)24-12-7-5-6-10-14(12)19(4)16(23)20(10)11-8-9-13(21)18-15(11)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;1-10(2)8-11-4-5-12-14(9-11)19(3)17(23)20(12)13-6-7-15(21)18-16(13)22/h5-7,14H,8-9H2,1-4H3,(H,20,23,24);5-7,13H,8-10H2,1-4H3,(H,19,22,23);5-7,12,19H,8-9H2,1-4H3,(H,18,22,23);5-7,11H,8-9H2,1-4H3,(H,18,21,22);5-7,12H,8-9H2,1-4H3,(H,18,21,22);4-5,9-10,13H,6-8H2,1-3H3,(H,18,21,22)
• InChIKey: ZSKXQDPDXJKCSB-UHFFFAOYSA-N
• XLogP: 9.78
• TPSA: 459.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 11
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1961.30
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

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-butylamino)-3-methyl-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-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-[4-(tert-butylamino)-3-methyl-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-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 162207788) is 3-[4-(tert-butylamino)-3-methyl-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-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[4-(tert-butylamino)-3-methyl-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-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[4-(tert-butylamino)-3-methyl-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-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is CC(C)Cc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O.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.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CC(C)(C)C)c21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(NC(C)(C)C)c21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(OC(C)(C)C)c21.

What is the InChIKey of 3-[4-(tert-butylamino)-3-methyl-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-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The InChIKey is ZSKXQDPDXJKCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3.C18H23N3O3.C17H22N4O3.C17H21N3O4.2C17H21N3O3/c1-19(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;1-18(2,3)10-11-6-5-7-12-15(11)20(4)17(24)21(12)13-8-9-14(22)19-16(13)23;1-17(2,3)19-10-6-5-7-11-14(10)20(4)16(24)21(11)12-8-9-13(22)18-15(12)23;1-17(2,3)24-12-7-5-6-10-14(12)19(4)16(23)20(10)11-8-9-13(21)18-15(11)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;1-10(2)8-11-4-5-12-14(9-11)19(3)17(23)20(12)13-6-7-15(21)18-16(13)22/h5-7,14H,8-9H2,1-4H3,(H,20,23,24);5-7,13H,8-10H2,1-4H3,(H,19,22,23);5-7,12,19H,8-9H2,1-4H3,(H,18,22,23);5-7,11H,8-9H2,1-4H3,(H,18,21,22);5-7,12H,8-9H2,1-4H3,(H,18,21,22);4-5,9-10,13H,6-8H2,1-3H3,(H,18,21,22).

What are the key properties of 3-[4-(tert-butylamino)-3-methyl-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-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

3-[4-(tert-butylamino)-3-methyl-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-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 1961.30 g/mol, XLogP of 9.78, 11 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(tert-butylamino)-3-methyl-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-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 162207788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).