3-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]propoxy]propyl]-N-methylcarbamate;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]prop-2-ynoxy]propyl]-N-methylcarbamate;tert-butyl N-methyl-N-(3-prop-2-ynoxypropyl)carbamate;3-[4-[3-[3-(methylamino)propoxy]propyl]-2-oxo-3H-benzimidazol-1-yl]piperidine-2,6-dione;oxolane;oxophosphane;phosphane;phosphanylphosphane;hydrochloride

C96H140BrClN16O24P4 — CID 167572102

About 3-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]propoxy]propyl]-N-methylcarbamate;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]prop-2-ynoxy]propyl]-N-methylcarbamate;tert-butyl N-methyl-N-(3-prop-2-ynoxypropyl)carbamate;3-[4-[3-[3-(methylamino)propoxy]propyl]-2-oxo-3H-benzimidazol-1-yl]piperidine-2,6-dione;oxolane;oxophosphane;phosphane;phosphanylphosphane;hydrochloride

3-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]propoxy]propyl]-N-methylcarbamate;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]prop-2-ynoxy]propyl]-N-methylcarbamate;tert-butyl N-methyl-N-(3-prop-2-ynoxypropyl)carbamate;3-[4-[3-[3-(methylamino)propoxy]propyl]-2-oxo-3H-benzimidazol-1-yl]piperidine-2,6-dione;oxolane;oxophosphane;phosphane;phosphanylphosphane;hydrochloride (PubChem CID 167572102) has the molecular formula C96H140BrClN16O24P4 and a molecular weight of 2141.52 g/mol. Its IUPAC name is 3-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]propoxy]propyl]-N-methylcarbamate;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]prop-2-ynoxy]propyl]-N-methylcarbamate;tert-butyl N-methyl-N-(3-prop-2-ynoxypropyl)carbamate;3-[4-[3-[3-(methylamino)propoxy]propyl]-2-oxo-3H-benzimidazol-1-yl]piperidine-2,6-dione;oxolane;oxophosphane;phosphane;phosphanylphosphane;hydrochloride.

Molecular Properties

• Compound Name: 3-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]propoxy]propyl]-N-methylcarbamate;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]prop-2-ynoxy]propyl]-N-methylcarbamate;tert-butyl N-methyl-N-(3-prop-2-ynoxypropyl)carbamate;3-[4-[3-[3-(methylamino)propoxy]propyl]-2-oxo-3H-benzimidazol-1-yl]piperidine-2,6-dione;oxolane;oxophosphane;phosphane;phosphanylphosphane;hydrochloride
• PubChem CID: 167572102
• Molecular Formula: C96H140BrClN16O24P4
• Molecular Weight: 2141.52 g/mol
• Exact Mass: 2138.80
• IUPAC Name: 3-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]propoxy]propyl]-N-methylcarbamate;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]prop-2-ynoxy]propyl]-N-methylcarbamate;tert-butyl N-methyl-N-(3-prop-2-ynoxypropyl)carbamate;3-[4-[3-[3-(methylamino)propoxy]propyl]-2-oxo-3H-benzimidazol-1-yl]piperidine-2,6-dione;oxolane;oxophosphane;phosphane;phosphanylphosphane;hydrochloride
• SMILES: C#CCOCCCN(C)C(=O)OC(C)(C)C.C1CCOC1.CN(CCCOCC#Cc1cccc2c1[nH]c(=O)n2C1CCC(=O)NC1=O)C(=O)OC(C)(C)C.CN(CCCOCCCc1cccc2c1[nH]c(=O)n2C1CCC(=O)NC1=O)C(=O)OC(C)(C)C.CNCCCOCCCc1cccc2c1[nH]c(=O)n2C1CCC(=O)NC1=O.Cl.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(Br)c21.O=P.P.PP
• InChI: InChI=1S/C24H34N4O6.C24H30N4O6.C19H26N4O4.C13H12BrN3O3.C12H21NO3.C4H8O.ClH.HOP.H4P2.H3P/c2*1-24(2,3)34-23(32)27(4)13-7-15-33-14-6-9-16-8-5-10-17-20(16)26-22(31)28(17)18-11-12-19(29)25-21(18)30;1-20-10-4-12-27-11-3-6-13-5-2-7-14-17(13)22-19(26)23(14)15-8-9-16(24)21-18(15)25;1-16-11-7(14)3-2-4-8(11)17(13(16)20)9-5-6-10(18)15-12(9)19;1-6-9-15-10-7-8-13(5)11(14)16-12(2,3)4;1-2-4-5-3-1;;2*1-2;/h5,8,10,18H,6-7,9,11-15H2,1-4H3,(H,26,31)(H,25,29,30);5,8,10,18H,7,11-15H2,1-4H3,(H,26,31)(H,25,29,30);2,5,7,15,20H,3-4,6,8-12H2,1H3,(H,22,26)(H,21,24,25);2-4,9H,5-6H2,1H3,(H,15,18,19);1H,7-10H2,2-5H3;1-4H2;1H;2H;1-2H2;1H3
• InChIKey: HQDIYVZDOGMXSB-UHFFFAOYSA-N
• XLogP: 10.69
• TPSA: 488.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2141.52
LogP ≤ 5	10.69
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]propoxy]propyl]-N-methylcarbamate;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]prop-2-ynoxy]propyl]-N-methylcarbamate;tert-butyl N-methyl-N-(3-prop-2-ynoxypropyl)carbamate;3-[4-[3-[3-(methylamino)propoxy]propyl]-2-oxo-3H-benzimidazol-1-yl]piperidine-2,6-dione;oxolane;oxophosphane;phosphane;phosphanylphosphane;hydrochloride?

The IUPAC name of 3-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]propoxy]propyl]-N-methylcarbamate;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]prop-2-ynoxy]propyl]-N-methylcarbamate;tert-butyl N-methyl-N-(3-prop-2-ynoxypropyl)carbamate;3-[4-[3-[3-(methylamino)propoxy]propyl]-2-oxo-3H-benzimidazol-1-yl]piperidine-2,6-dione;oxolane;oxophosphane;phosphane;phosphanylphosphane;hydrochloride (CID 167572102) is 3-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]propoxy]propyl]-N-methylcarbamate;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]prop-2-ynoxy]propyl]-N-methylcarbamate;tert-butyl N-methyl-N-(3-prop-2-ynoxypropyl)carbamate;3-[4-[3-[3-(methylamino)propoxy]propyl]-2-oxo-3H-benzimidazol-1-yl]piperidine-2,6-dione;oxolane;oxophosphane;phosphane;phosphanylphosphane;hydrochloride.

What is the SMILES notation for 3-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]propoxy]propyl]-N-methylcarbamate;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]prop-2-ynoxy]propyl]-N-methylcarbamate;tert-butyl N-methyl-N-(3-prop-2-ynoxypropyl)carbamate;3-[4-[3-[3-(methylamino)propoxy]propyl]-2-oxo-3H-benzimidazol-1-yl]piperidine-2,6-dione;oxolane;oxophosphane;phosphane;phosphanylphosphane;hydrochloride?

The canonical SMILES for 3-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]propoxy]propyl]-N-methylcarbamate;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]prop-2-ynoxy]propyl]-N-methylcarbamate;tert-butyl N-methyl-N-(3-prop-2-ynoxypropyl)carbamate;3-[4-[3-[3-(methylamino)propoxy]propyl]-2-oxo-3H-benzimidazol-1-yl]piperidine-2,6-dione;oxolane;oxophosphane;phosphane;phosphanylphosphane;hydrochloride is C#CCOCCCN(C)C(=O)OC(C)(C)C.C1CCOC1.CN(CCCOCC#Cc1cccc2c1[nH]c(=O)n2C1CCC(=O)NC1=O)C(=O)OC(C)(C)C.CN(CCCOCCCc1cccc2c1[nH]c(=O)n2C1CCC(=O)NC1=O)C(=O)OC(C)(C)C.CNCCCOCCCc1cccc2c1[nH]c(=O)n2C1CCC(=O)NC1=O.Cl.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(Br)c21.O=P.P.PP.

What is the InChIKey of 3-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]propoxy]propyl]-N-methylcarbamate;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]prop-2-ynoxy]propyl]-N-methylcarbamate;tert-butyl N-methyl-N-(3-prop-2-ynoxypropyl)carbamate;3-[4-[3-[3-(methylamino)propoxy]propyl]-2-oxo-3H-benzimidazol-1-yl]piperidine-2,6-dione;oxolane;oxophosphane;phosphane;phosphanylphosphane;hydrochloride?

The InChIKey is HQDIYVZDOGMXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O6.C24H30N4O6.C19H26N4O4.C13H12BrN3O3.C12H21NO3.C4H8O.ClH.HOP.H4P2.H3P/c2*1-24(2,3)34-23(32)27(4)13-7-15-33-14-6-9-16-8-5-10-17-20(16)26-22(31)28(17)18-11-12-19(29)25-21(18)30;1-20-10-4-12-27-11-3-6-13-5-2-7-14-17(13)22-19(26)23(14)15-8-9-16(24)21-18(15)25;1-16-11-7(14)3-2-4-8(11)17(13(16)20)9-5-6-10(18)15-12(9)19;1-6-9-15-10-7-8-13(5)11(14)16-12(2,3)4;1-2-4-5-3-1;;2*1-2;/h5,8,10,18H,6-7,9,11-15H2,1-4H3,(H,26,31)(H,25,29,30);5,8,10,18H,7,11-15H2,1-4H3,(H,26,31)(H,25,29,30);2,5,7,15,20H,3-4,6,8-12H2,1H3,(H,22,26)(H,21,24,25);2-4,9H,5-6H2,1H3,(H,15,18,19);1H,7-10H2,2-5H3;1-4H2;1H;2H;1-2H2;1H3.

What are the key properties of 3-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]propoxy]propyl]-N-methylcarbamate;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]prop-2-ynoxy]propyl]-N-methylcarbamate;tert-butyl N-methyl-N-(3-prop-2-ynoxypropyl)carbamate;3-[4-[3-[3-(methylamino)propoxy]propyl]-2-oxo-3H-benzimidazol-1-yl]piperidine-2,6-dione;oxolane;oxophosphane;phosphane;phosphanylphosphane;hydrochloride?

3-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]propoxy]propyl]-N-methylcarbamate;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]prop-2-ynoxy]propyl]-N-methylcarbamate;tert-butyl N-methyl-N-(3-prop-2-ynoxypropyl)carbamate;3-[4-[3-[3-(methylamino)propoxy]propyl]-2-oxo-3H-benzimidazol-1-yl]piperidine-2,6-dione;oxolane;oxophosphane;phosphane;phosphanylphosphane;hydrochloride has a molecular weight of 2141.52 g/mol, XLogP of 10.69, 30 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]propoxy]propyl]-N-methylcarbamate;tert-butyl N-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-benzimidazol-4-yl]prop-2-ynoxy]propyl]-N-methylcarbamate;tert-butyl N-methyl-N-(3-prop-2-ynoxypropyl)carbamate;3-[4-[3-[3-(methylamino)propoxy]propyl]-2-oxo-3H-benzimidazol-1-yl]piperidine-2,6-dione;oxolane;oxophosphane;phosphane;phosphanylphosphane;hydrochloride is sourced from PubChem (CID 167572102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).