(4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one

C37H33FN2O4 — CID 25055709

About (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one

(4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one (PubChem CID 25055709) has the molecular formula C37H33FN2O4 and a molecular weight of 588.68 g/mol. Its IUPAC name is (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one.

Molecular Properties

• Compound Name: (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one
• PubChem CID: 25055709
• Molecular Formula: C37H33FN2O4
• Molecular Weight: 588.68 g/mol
• Exact Mass: 588.24
• IUPAC Name: (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one
• SMILES: CN1C(=O)N(c2ccc(-c3ccccc3)cc2)[C@H](c2ccc(-c3cccc(O)c3)cc2O)[C@H]1CC[C@H](O)c1ccc(F)cc1
• InChI: InChI=1S/C37H33FN2O4/c1-39-33(20-21-34(42)26-10-15-29(38)16-11-26)36(32-19-14-28(23-35(32)43)27-8-5-9-31(41)22-27)40(37(39)44)30-17-12-25(13-18-30)24-6-3-2-4-7-24/h2-19,22-23,33-34,36,41-43H,20-21H2,1H3/t33-,34+,36-/m1/s1
• InChIKey: XOYQOSQWCSGOLD-SHXLRKJTSA-N
• XLogP: 8.07
• TPSA: 84.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.68
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one?

The IUPAC name of (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one (CID 25055709) is (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one.

What is the SMILES notation for (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one?

The canonical SMILES for (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one is CN1C(=O)N(c2ccc(-c3ccccc3)cc2)[C@H](c2ccc(-c3cccc(O)c3)cc2O)[C@H]1CC[C@H](O)c1ccc(F)cc1.

What is the InChIKey of (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one?

The InChIKey is XOYQOSQWCSGOLD-SHXLRKJTSA-N. The full InChI is InChI=1S/C37H33FN2O4/c1-39-33(20-21-34(42)26-10-15-29(38)16-11-26)36(32-19-14-28(23-35(32)43)27-8-5-9-31(41)22-27)40(37(39)44)30-17-12-25(13-18-30)24-6-3-2-4-7-24/h2-19,22-23,33-34,36,41-43H,20-21H2,1H3/t33-,34+,36-/m1/s1.

What are the key properties of (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one?

(4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one has a molecular weight of 588.68 g/mol, XLogP of 8.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one is sourced from PubChem (CID 25055709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).