3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide

C24H26N4O4 — CID 55524024

About 3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide

3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 55524024) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
• PubChem CID: 55524024
• Molecular Formula: C24H26N4O4
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.20
• IUPAC Name: 3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
• SMILES: CN(C)C(=O)c1cccc(NC(=O)CN2C(=O)NC(C)(c3ccc4c(c3)CCC4)C2=O)c1
• InChI: InChI=1S/C24H26N4O4/c1-24(18-11-10-15-6-4-7-16(15)12-18)22(31)28(23(32)26-24)14-20(29)25-19-9-5-8-17(13-19)21(30)27(2)3/h5,8-13H,4,6-7,14H2,1-3H3,(H,25,29)(H,26,32)
• InChIKey: BQWNVAZCPCPOFV-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide?

The IUPAC name of 3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide (CID 55524024) is 3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide.

What is the SMILES notation for 3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide?

The canonical SMILES for 3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)CN2C(=O)NC(C)(c3ccc4c(c3)CCC4)C2=O)c1.

What is the InChIKey of 3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide?

The InChIKey is BQWNVAZCPCPOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-24(18-11-10-15-6-4-7-16(15)12-18)22(31)28(23(32)26-24)14-20(29)25-19-9-5-8-17(13-19)21(30)27(2)3/h5,8-13H,4,6-7,14H2,1-3H3,(H,25,29)(H,26,32).

What are the key properties of 3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide?

3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 434.50 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 55524024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).