N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethyl-2-phenylethanamine

C26H28ClF3N4 — CID 10228129

About N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethyl-2-phenylethanamine

N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethyl-2-phenylethanamine (PubChem CID 10228129) has the molecular formula C26H28ClF3N4 and a molecular weight of 488.99 g/mol. Its IUPAC name is N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethyl-2-phenylethanamine.

Molecular Properties

• Compound Name: N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethyl-2-phenylethanamine
• PubChem CID: 10228129
• Molecular Formula: C26H28ClF3N4
• Molecular Weight: 488.99 g/mol
• Exact Mass: 488.20
• IUPAC Name: N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethyl-2-phenylethanamine
• SMILES: CCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12
• InChI: InChI=1S/C26H28ClF3N4/c1-5-32(12-11-20-9-7-6-8-10-20)15-21-24(26(28,29)30)31-25-33(21)16-22(27)34(25)23-18(3)13-17(2)14-19(23)4/h6-10,13-14,16H,5,11-12,15H2,1-4H3
• InChIKey: FPSWKOLYNPXXEK-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 25.47 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.99
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethyl-2-phenylethanamine?

The IUPAC name of N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethyl-2-phenylethanamine (CID 10228129) is N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethyl-2-phenylethanamine.

What is the SMILES notation for N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethyl-2-phenylethanamine?

The canonical SMILES for N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethyl-2-phenylethanamine is CCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12.

What is the InChIKey of N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethyl-2-phenylethanamine?

The InChIKey is FPSWKOLYNPXXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClF3N4/c1-5-32(12-11-20-9-7-6-8-10-20)15-21-24(26(28,29)30)31-25-33(21)16-22(27)34(25)23-18(3)13-17(2)14-19(23)4/h6-10,13-14,16H,5,11-12,15H2,1-4H3.

What are the key properties of N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethyl-2-phenylethanamine?

N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethyl-2-phenylethanamine has a molecular weight of 488.99 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 10228129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).