(2R,5R)-3-(3,5-dichlorophenyl)-5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroacetyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-one

C23H20Cl2F6N2O3 — CID 59858042

About (2R,5R)-3-(3,5-dichlorophenyl)-5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroacetyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-one

(2R,5R)-3-(3,5-dichlorophenyl)-5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroacetyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-one (PubChem CID 59858042) has the molecular formula C23H20Cl2F6N2O3 and a molecular weight of 557.32 g/mol. Its IUPAC name is (2R,5R)-3-(3,5-dichlorophenyl)-5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroacetyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-one.

Molecular Properties

• Compound Name: (2R,5R)-3-(3,5-dichlorophenyl)-5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroacetyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-one
• PubChem CID: 59858042
• Molecular Formula: C23H20Cl2F6N2O3
• Molecular Weight: 557.32 g/mol
• Exact Mass: 556.08
• IUPAC Name: (2R,5R)-3-(3,5-dichlorophenyl)-5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroacetyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-one
• SMILES: CC(C)[C@@H]1N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@](C)(Cc2ccc(OC(F)(F)F)cc2)N1C(=O)C(F)(F)F
• InChI: InChI=1S/C23H20Cl2F6N2O3/c1-12(2)18-32(16-9-14(24)8-15(25)10-16)19(34)21(3,33(18)20(35)22(26,27)28)11-13-4-6-17(7-5-13)36-23(29,30)31/h4-10,12,18H,11H2,1-3H3/t18-,21-/m1/s1
• InChIKey: CYHLCGQZWIMRBC-WIYYLYMNSA-N
• XLogP: 6.61
• TPSA: 49.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.32
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-3-(3,5-dichlorophenyl)-5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroacetyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-one?

The IUPAC name of (2R,5R)-3-(3,5-dichlorophenyl)-5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroacetyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-one (CID 59858042) is (2R,5R)-3-(3,5-dichlorophenyl)-5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroacetyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-one.

What is the SMILES notation for (2R,5R)-3-(3,5-dichlorophenyl)-5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroacetyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-one?

The canonical SMILES for (2R,5R)-3-(3,5-dichlorophenyl)-5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroacetyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-one is CC(C)[C@@H]1N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@](C)(Cc2ccc(OC(F)(F)F)cc2)N1C(=O)C(F)(F)F.

What is the InChIKey of (2R,5R)-3-(3,5-dichlorophenyl)-5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroacetyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-one?

The InChIKey is CYHLCGQZWIMRBC-WIYYLYMNSA-N. The full InChI is InChI=1S/C23H20Cl2F6N2O3/c1-12(2)18-32(16-9-14(24)8-15(25)10-16)19(34)21(3,33(18)20(35)22(26,27)28)11-13-4-6-17(7-5-13)36-23(29,30)31/h4-10,12,18H,11H2,1-3H3/t18-,21-/m1/s1.

What are the key properties of (2R,5R)-3-(3,5-dichlorophenyl)-5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroacetyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-one?

(2R,5R)-3-(3,5-dichlorophenyl)-5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroacetyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-one has a molecular weight of 557.32 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R)-3-(3,5-dichlorophenyl)-5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroacetyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-one is sourced from PubChem (CID 59858042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).