N-(2,2-dimethylpropyl)-7-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide

C25H24N4O3S — CID 69145709

About N-(2,2-dimethylpropyl)-7-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide

N-(2,2-dimethylpropyl)-7-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide (PubChem CID 69145709) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-7-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,2-dimethylpropyl)-7-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
• PubChem CID: 69145709
• Molecular Formula: C25H24N4O3S
• Molecular Weight: 460.56 g/mol
• Exact Mass: 460.16
• IUPAC Name: N-(2,2-dimethylpropyl)-7-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
• SMILES: CN(CC(C)(C)C)C(=O)c1cn2c(nc3ccc(CN4C(=O)c5ccccc5C4=O)cc32)s1
• InChI: InChI=1S/C25H24N4O3S/c1-25(2,3)14-27(4)23(32)20-13-28-19-11-15(9-10-18(19)26-24(28)33-20)12-29-21(30)16-7-5-6-8-17(16)22(29)31/h5-11,13H,12,14H2,1-4H3
• InChIKey: FUSUOEWDVHNADQ-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 74.99 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.56
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-7-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?

The IUPAC name of N-(2,2-dimethylpropyl)-7-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide (CID 69145709) is N-(2,2-dimethylpropyl)-7-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide.

What is the SMILES notation for N-(2,2-dimethylpropyl)-7-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?

The canonical SMILES for N-(2,2-dimethylpropyl)-7-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide is CN(CC(C)(C)C)C(=O)c1cn2c(nc3ccc(CN4C(=O)c5ccccc5C4=O)cc32)s1.

What is the InChIKey of N-(2,2-dimethylpropyl)-7-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?

The InChIKey is FUSUOEWDVHNADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-25(2,3)14-27(4)23(32)20-13-28-19-11-15(9-10-18(19)26-24(28)33-20)12-29-21(30)16-7-5-6-8-17(16)22(29)31/h5-11,13H,12,14H2,1-4H3.

What are the key properties of N-(2,2-dimethylpropyl)-7-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?

N-(2,2-dimethylpropyl)-7-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-dimethylpropyl)-7-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 69145709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).