(5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione

C19H20F3N3O3 — CID 156822921

About (5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione

(5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione (PubChem CID 156822921) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
• PubChem CID: 156822921
• Molecular Formula: C19H20F3N3O3
• Molecular Weight: 395.38 g/mol
• Exact Mass: 395.15
• IUPAC Name: (5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
• SMILES: O=C1NC(=O)[C@](CCC(=O)N2Cc3ccc(CC(F)(F)F)cc3C2)(C2CC2)N1
• InChI: InChI=1S/C19H20F3N3O3/c20-19(21,22)8-11-1-2-12-9-25(10-13(12)7-11)15(26)5-6-18(14-3-4-14)16(27)23-17(28)24-18/h1-2,7,14H,3-6,8-10H2,(H2,23,24,27,28)/t18-/m0/s1
• InChIKey: ZMZUPFGBAXDKAM-SFHVURJKSA-N
• XLogP: 2.40
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.38
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione (CID 156822921) is (5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](CCC(=O)N2Cc3ccc(CC(F)(F)F)cc3C2)(C2CC2)N1.

What is the InChIKey of (5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?

The InChIKey is ZMZUPFGBAXDKAM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c20-19(21,22)8-11-1-2-12-9-25(10-13(12)7-11)15(26)5-6-18(14-3-4-14)16(27)23-17(28)24-18/h1-2,7,14H,3-6,8-10H2,(H2,23,24,27,28)/t18-/m0/s1.

What are the key properties of (5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione?

(5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 395.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156822921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).