3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide

C28H32F3N5O3 — CID 10530554

About 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide

3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 10530554) has the molecular formula C28H32F3N5O3 and a molecular weight of 543.59 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
• PubChem CID: 10530554
• Molecular Formula: C28H32F3N5O3
• Molecular Weight: 543.59 g/mol
• Exact Mass: 543.25
• IUPAC Name: 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
• SMILES: CN(C)CCc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12
• InChI: InChI=1S/C28H32F3N5O3/c1-27(2)25(38)36(26(39)34-27)14-11-17-7-10-22-21(15-17)20(12-13-35(3)4)23(33-22)24(37)32-16-18-5-8-19(9-6-18)28(29,30)31/h5-10,15,33H,11-14,16H2,1-4H3,(H,32,37)(H,34,39)
• InChIKey: CYQJVGNTMOGXHH-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 97.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.59
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide?

The IUPAC name of 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide (CID 10530554) is 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide?

The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide is CN(C)CCc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12.

What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide?

The InChIKey is CYQJVGNTMOGXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O3/c1-27(2)25(38)36(26(39)34-27)14-11-17-7-10-22-21(15-17)20(12-13-35(3)4)23(33-22)24(37)32-16-18-5-8-19(9-6-18)28(29,30)31/h5-10,15,33H,11-14,16H2,1-4H3,(H,32,37)(H,34,39).

What are the key properties of 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide?

3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 543.59 g/mol, XLogP of 4.09, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10530554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).