5-cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one

C26H28F3N3O4 — CID 166705288

About 5-cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one

5-cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one (PubChem CID 166705288) has the molecular formula C26H28F3N3O4 and a molecular weight of 503.52 g/mol. Its IUPAC name is 5-cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one.

Molecular Properties

• Compound Name: 5-cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one
• PubChem CID: 166705288
• Molecular Formula: C26H28F3N3O4
• Molecular Weight: 503.52 g/mol
• Exact Mass: 503.20
• IUPAC Name: 5-cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one
• SMILES: O=C(C(COCc1ccccc1)CC1(C2CC2)NC(O)NC1=O)N1Cc2ccc(C(F)(F)F)cc2C1
• InChI: InChI=1S/C26H28F3N3O4/c27-26(28,29)21-7-6-17-12-32(13-18(17)10-21)22(33)19(15-36-14-16-4-2-1-3-5-16)11-25(20-8-9-20)23(34)30-24(35)31-25/h1-7,10,19-20,24,31,35H,8-9,11-15H2,(H,30,34)
• InChIKey: XKRZIIJKOPKFNW-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 90.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.52
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one?

The IUPAC name of 5-cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one (CID 166705288) is 5-cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one.

What is the SMILES notation for 5-cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one?

The canonical SMILES for 5-cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one is O=C(C(COCc1ccccc1)CC1(C2CC2)NC(O)NC1=O)N1Cc2ccc(C(F)(F)F)cc2C1.

What is the InChIKey of 5-cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one?

The InChIKey is XKRZIIJKOPKFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O4/c27-26(28,29)21-7-6-17-12-32(13-18(17)10-21)22(33)19(15-36-14-16-4-2-1-3-5-16)11-25(20-8-9-20)23(34)30-24(35)31-25/h1-7,10,19-20,24,31,35H,8-9,11-15H2,(H,30,34).

What are the key properties of 5-cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one?

5-cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one has a molecular weight of 503.52 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one is sourced from PubChem (CID 166705288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).