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

C24H28ClF3N4O4 — CID 165399127

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

(5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione (PubChem CID 165399127) has the molecular formula C24H28ClF3N4O4 and a molecular weight of 528.96 g/mol. Its IUPAC name is (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropyl-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-cyclopropyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
• PubChem CID: 165399127
• Molecular Formula: C24H28ClF3N4O4
• Molecular Weight: 528.96 g/mol
• Exact Mass: 528.18
• IUPAC Name: (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
• SMILES: O=C(CC[C@]1(C2CC2)NC(=O)N(CCN2CCOCC2)C1=O)N1Cc2cc(Cl)c(C(F)(F)F)cc2C1
• InChI: InChI=1S/C24H28ClF3N4O4/c25-19-12-16-14-31(13-15(16)11-18(19)24(26,27)28)20(33)3-4-23(17-1-2-17)21(34)32(22(35)29-23)6-5-30-7-9-36-10-8-30/h11-12,17H,1-10,13-14H2,(H,29,35)/t23-/m1/s1
• InChIKey: WQQSZDLDLBLCFN-HSZRJFAPSA-N
• XLogP: 3.01
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.96
LogP ≤ 5	3.01
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-cyclopropyl-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-cyclopropyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione (CID 165399127) is (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione is O=C(CC[C@]1(C2CC2)NC(=O)N(CCN2CCOCC2)C1=O)N1Cc2cc(Cl)c(C(F)(F)F)cc2C1.

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

The InChIKey is WQQSZDLDLBLCFN-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H28ClF3N4O4/c25-19-12-16-14-31(13-15(16)11-18(19)24(26,27)28)20(33)3-4-23(17-1-2-17)21(34)32(22(35)29-23)6-5-30-7-9-36-10-8-30/h11-12,17H,1-10,13-14H2,(H,29,35)/t23-/m1/s1.

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

(5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione has a molecular weight of 528.96 g/mol, XLogP of 3.01, 7 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-cyclopropyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 165399127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).