3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten

C42H42ClN9O11W2 — CID 157092608

About 3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten

3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten (PubChem CID 157092608) has the molecular formula C42H42ClN9O11W2 and a molecular weight of 1251.98 g/mol. Its IUPAC name is 3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten.

Molecular Properties

• Compound Name: 3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten
• PubChem CID: 157092608
• Molecular Formula: C42H42ClN9O11W2
• Molecular Weight: 1251.98 g/mol
• Exact Mass: 1251.17
• IUPAC Name: 3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten
• SMILES: Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C=O)c21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CCl)c21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CO)c21.[W].[W]
• InChI: InChI=1S/C14H14ClN3O3.C14H15N3O4.C14H13N3O4.2W/c1-17-12-8(7-15)3-2-4-9(12)18(14(17)21)10-5-6-11(19)16-13(10)20;2*1-16-12-8(7-18)3-2-4-9(12)17(14(16)21)10-5-6-11(19)15-13(10)20;;/h2-4,10H,5-7H2,1H3,(H,16,19,20);2-4,10,18H,5-7H2,1H3,(H,15,19,20);2-4,7,10H,5-6H2,1H3,(H,15,19,20)
• InChIKey: AEVKSVOOWLLJFQ-UHFFFAOYSA-N
• XLogP: 0.99
• TPSA: 256.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1251.98
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten?

The IUPAC name of 3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten (CID 157092608) is 3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten.

What is the SMILES notation for 3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten?

The canonical SMILES for 3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten is Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C=O)c21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CCl)c21.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CO)c21.[W].[W].

What is the InChIKey of 3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten?

The InChIKey is AEVKSVOOWLLJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3.C14H15N3O4.C14H13N3O4.2W/c1-17-12-8(7-15)3-2-4-9(12)18(14(17)21)10-5-6-11(19)16-13(10)20;2*1-16-12-8(7-18)3-2-4-9(12)17(14(16)21)10-5-6-11(19)15-13(10)20;;/h2-4,10H,5-7H2,1H3,(H,16,19,20);2-4,10,18H,5-7H2,1H3,(H,15,19,20);2-4,7,10H,5-6H2,1H3,(H,15,19,20);;.

What are the key properties of 3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten?

3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten has a molecular weight of 1251.98 g/mol, XLogP of 0.99, 6 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(chloromethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;3-[4-(hydroxymethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;tungsten is sourced from PubChem (CID 157092608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).