1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one

C150H169N21O24 — CID 167679917

About 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one

1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one (PubChem CID 167679917) has the molecular formula C150H169N21O24 and a molecular weight of 2650.12 g/mol. Its IUPAC name is 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one.

Molecular Properties

• Compound Name: 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one
• PubChem CID: 167679917
• Molecular Formula: C150H169N21O24
• Molecular Weight: 2650.12 g/mol
• Exact Mass: 2648.26
• IUPAC Name: 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one
• SMILES: C=C1CCC(N2C(=O)c3ccc(C(C)C)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(C(C)C)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(C(C)C)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(C(C)C)c3C2=O)C(=O)N1.C=C1CCC(n2c(=O)n(C(C)C)c3ccccc32)C(=O)N1.C=C1CCC(n2c(=O)n(C)c3c(C(C)C)cccc32)C(=O)N1.C=C1CCC(n2c(=O)n(C)c3cc(C(C)C)ccc32)C(=O)N1.C=C1CCC(n2c(=O)oc3c(C(C)C)cccc32)C(=O)N1.C=C1CCC(n2c(=O)oc3cc(C(C)C)ccc32)C(=O)N1
• InChI: InChI=1S/2C17H21N3O2.4C17H18N2O3.C16H19N3O2.2C16H18N2O3/c1-10(2)12-6-8-13-15(9-12)19(4)17(22)20(13)14-7-5-11(3)18-16(14)21;1-10(2)12-6-5-7-13-15(12)19(4)17(22)20(13)14-9-8-11(3)18-16(14)21;2*1-9(2)11-5-6-12-13(8-11)17(22)19(16(12)21)14-7-4-10(3)18-15(14)20;2*1-9(2)11-5-4-6-12-14(11)17(22)19(16(12)21)13-8-7-10(3)18-15(13)20;1-10(2)18-12-6-4-5-7-13(12)19(16(18)21)14-9-8-11(3)17-15(14)20;1-9(2)11-5-7-12-14(8-11)21-16(20)18(12)13-6-4-10(3)17-15(13)19;1-9(2)11-5-4-6-12-14(11)21-16(20)18(12)13-8-7-10(3)17-15(13)19/h6,8-10,14H,3,5,7H2,1-2,4H3,(H,18,21);5-7,10,14H,3,8-9H2,1-2,4H3,(H,18,21);2*5-6,8-9,14H,3-4,7H2,1-2H3,(H,18,20);2*4-6,9,13H,3,7-8H2,1-2H3,(H,18,20);4-7,10,14H,3,8-9H2,1-2H3,(H,17,20);5,7-9,13H,3-4,6H2,1-2H3,(H,17,19);4-6,9,13H,3,7-8H2,1-2H3,(H,17,19)
• InChIKey: VJJZXRNGDBRNEO-UHFFFAOYSA-N
• XLogP: 21.36
• TPSA: 562.49 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2650.12
LogP ≤ 5	21.36
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one?

The IUPAC name of 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one (CID 167679917) is 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one.

What is the SMILES notation for 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one?

The canonical SMILES for 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one is C=C1CCC(N2C(=O)c3ccc(C(C)C)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(C(C)C)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(C(C)C)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(C(C)C)c3C2=O)C(=O)N1.C=C1CCC(n2c(=O)n(C(C)C)c3ccccc32)C(=O)N1.C=C1CCC(n2c(=O)n(C)c3c(C(C)C)cccc32)C(=O)N1.C=C1CCC(n2c(=O)n(C)c3cc(C(C)C)ccc32)C(=O)N1.C=C1CCC(n2c(=O)oc3c(C(C)C)cccc32)C(=O)N1.C=C1CCC(n2c(=O)oc3cc(C(C)C)ccc32)C(=O)N1.

What is the InChIKey of 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one?

The InChIKey is VJJZXRNGDBRNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H21N3O2.4C17H18N2O3.C16H19N3O2.2C16H18N2O3/c1-10(2)12-6-8-13-15(9-12)19(4)17(22)20(13)14-7-5-11(3)18-16(14)21;1-10(2)12-6-5-7-13-15(12)19(4)17(22)20(13)14-9-8-11(3)18-16(14)21;2*1-9(2)11-5-6-12-13(8-11)17(22)19(16(12)21)14-7-4-10(3)18-15(14)20;2*1-9(2)11-5-4-6-12-14(11)17(22)19(16(12)21)13-8-7-10(3)18-15(13)20;1-10(2)18-12-6-4-5-7-13(12)19(16(18)21)14-9-8-11(3)17-15(14)20;1-9(2)11-5-7-12-14(8-11)21-16(20)18(12)13-6-4-10(3)17-15(13)19;1-9(2)11-5-4-6-12-14(11)21-16(20)18(12)13-8-7-10(3)17-15(13)19/h6,8-10,14H,3,5,7H2,1-2,4H3,(H,18,21);5-7,10,14H,3,8-9H2,1-2,4H3,(H,18,21);2*5-6,8-9,14H,3-4,7H2,1-2H3,(H,18,20);2*4-6,9,13H,3,7-8H2,1-2H3,(H,18,20);4-7,10,14H,3,8-9H2,1-2H3,(H,17,20);5,7-9,13H,3-4,6H2,1-2H3,(H,17,19);4-6,9,13H,3,7-8H2,1-2H3,(H,17,19).

What are the key properties of 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one?

1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one has a molecular weight of 2650.12 g/mol, XLogP of 21.36, 18 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one is sourced from PubChem (CID 167679917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).