(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one

C43H43FN2O8 — CID 24762214

About (4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one

(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one (PubChem CID 24762214) has the molecular formula C43H43FN2O8 and a molecular weight of 734.82 g/mol. Its IUPAC name is (4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one.

Molecular Properties

• Compound Name: (4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one
• PubChem CID: 24762214
• Molecular Formula: C43H43FN2O8
• Molecular Weight: 734.82 g/mol
• Exact Mass: 734.30
• IUPAC Name: (4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one
• SMILES: CN1C(=O)N(c2ccc(-c3ccccc3)cc2)[C@H](c2ccc(-c3ccc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc2O)[C@H]1CCC(O)c1ccc(F)cc1
• InChI: InChI=1S/C43H43FN2O8/c1-45-34(21-22-35(48)28-11-16-31(44)17-12-28)38(46(43(45)53)32-18-13-26(14-19-32)25-5-3-2-4-6-25)33-20-15-30(23-36(33)49)27-7-9-29(10-8-27)42-41(52)40(51)39(50)37(24-47)54-42/h2-20,23,34-35,37-42,47-52H,21-22,24H2,1H3/t34-,35?,37-,38-,39-,40+,41-,42+/m1/s1
• InChIKey: BSGUZXGRWKUKMW-NDSLHQLSSA-N
• XLogP: 5.88
• TPSA: 154.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	734.82
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

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-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one?

The IUPAC name of (4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one (CID 24762214) is (4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one.

What is the SMILES notation for (4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one?

The canonical SMILES for (4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one is CN1C(=O)N(c2ccc(-c3ccccc3)cc2)[C@H](c2ccc(-c3ccc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc2O)[C@H]1CCC(O)c1ccc(F)cc1.

What is the InChIKey of (4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one?

The InChIKey is BSGUZXGRWKUKMW-NDSLHQLSSA-N. The full InChI is InChI=1S/C43H43FN2O8/c1-45-34(21-22-35(48)28-11-16-31(44)17-12-28)38(46(43(45)53)32-18-13-26(14-19-32)25-5-3-2-4-6-25)33-20-15-30(23-36(33)49)27-7-9-29(10-8-27)42-41(52)40(51)39(50)37(24-47)54-42/h2-20,23,34-35,37-42,47-52H,21-22,24H2,1H3/t34-,35?,37-,38-,39-,40+,41-,42+/m1/s1.

What are the key properties of (4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one?

(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one has a molecular weight of 734.82 g/mol, XLogP of 5.88, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one is sourced from PubChem (CID 24762214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).