(5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione

C22H26ClF3N4O4 — CID 165399086

About (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione

(5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione (PubChem CID 165399086) has the molecular formula C22H26ClF3N4O4 and a molecular weight of 502.92 g/mol. Its IUPAC name is (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
• PubChem CID: 165399086
• Molecular Formula: C22H26ClF3N4O4
• Molecular Weight: 502.92 g/mol
• Exact Mass: 502.16
• IUPAC Name: (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
• SMILES: C[C@]1(CCC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)NC(=O)N(CCN2CCOCC2)C1=O
• InChI: InChI=1S/C22H26ClF3N4O4/c1-21(19(32)30(20(33)27-21)5-4-28-6-8-34-9-7-28)3-2-18(31)29-12-14-10-16(22(24,25)26)17(23)11-15(14)13-29/h10-11H,2-9,12-13H2,1H3,(H,27,33)/t21-/m1/s1
• InChIKey: JEGZPZRGRQSOJM-OAQYLSRUSA-N
• XLogP: 2.62
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.92
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione (CID 165399086) is (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione is C[C@]1(CCC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)NC(=O)N(CCN2CCOCC2)C1=O.

What is the InChIKey of (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?

The InChIKey is JEGZPZRGRQSOJM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26ClF3N4O4/c1-21(19(32)30(20(33)27-21)5-4-28-6-8-34-9-7-28)3-2-18(31)29-12-14-10-16(22(24,25)26)17(23)11-15(14)13-29/h10-11H,2-9,12-13H2,1H3,(H,27,33)/t21-/m1/s1.

What are the key properties of (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?

(5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione has a molecular weight of 502.92 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 165399086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).