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

C42H41FN2O8 — CID 25055444

IUPAC(4R,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-(4-phenylphenyl)imidazolidin-2-one
SMILESO=C1N[C@H](CCC(O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccc(C4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc2O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H41FN2O8/c43-30-15-10-27(11-16-30)34(47)21-20-33-37(45(42(52)44-33)31-17-12-25(13-18-31)24-4-2-1-3-5-24)32-19-14-29(22-35(32)48)26-6-8-28(9-7-26)41-40(51)39(50)38(49)36(23-46)53-41/h1-19,22,33-34,36-41,46-51H,20-21,23H2,(H,44,52)/t33-,34?,36-,37-,38-,39+,40-,41?/m1/s1
InChIKeyQOYWIPBQTMYAPQ-OWSKGLSUSA-N
MW720.79 g/mol
LogP5.53
Rot. Bonds10

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

(4R,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-(4-phenylphenyl)imidazolidin-2-one (PubChem CID 25055444) has the molecular formula C42H41FN2O8 and a molecular weight of 720.79 g/mol. Its IUPAC name is (4R,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-(4-phenylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-(4-phenylphenyl)imidazolidin-2-one
PubChem CID25055444
Molecular FormulaC42H41FN2O8
Molecular Weight720.79 g/mol
Exact Mass720.28
IUPAC Name(4R,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-(4-phenylphenyl)imidazolidin-2-one
SMILESO=C1N[C@H](CCC(O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccc(C4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc2O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H41FN2O8/c43-30-15-10-27(11-16-30)34(47)21-20-33-37(45(42(52)44-33)31-17-12-25(13-18-31)24-4-2-1-3-5-24)32-19-14-29(22-35(32)48)26-6-8-28(9-7-26)41-40(51)39(50)38(49)36(23-46)53-41/h1-19,22,33-34,36-41,46-51H,20-21,23H2,(H,44,52)/t33-,34?,36-,37-,38-,39+,40-,41?/m1/s1
InChIKeyQOYWIPBQTMYAPQ-OWSKGLSUSA-N
XLogP5.53
TPSA162.95 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500720.79
LogP ≤ 55.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-(4-phenylphenyl)imidazolidin-2-one?
The IUPAC name of (4R,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-(4-phenylphenyl)imidazolidin-2-one (CID 25055444) is (4R,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-(4-phenylphenyl)imidazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-(4-phenylphenyl)imidazolidin-2-one?
The canonical SMILES for (4R,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-(4-phenylphenyl)imidazolidin-2-one is O=C1N[C@H](CCC(O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccc(C4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc2O)N1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4R,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-(4-phenylphenyl)imidazolidin-2-one?
The InChIKey is QOYWIPBQTMYAPQ-OWSKGLSUSA-N. The full InChI is InChI=1S/C42H41FN2O8/c43-30-15-10-27(11-16-30)34(47)21-20-33-37(45(42(52)44-33)31-17-12-25(13-18-31)24-4-2-1-3-5-24)32-19-14-29(22-35(32)48)26-6-8-28(9-7-26)41-40(51)39(50)38(49)36(23-46)53-41/h1-19,22,33-34,36-41,46-51H,20-21,23H2,(H,44,52)/t33-,34?,36-,37-,38-,39+,40-,41?/m1/s1.
What are the key properties of (4R,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-(4-phenylphenyl)imidazolidin-2-one?
(4R,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-(4-phenylphenyl)imidazolidin-2-one has a molecular weight of 720.79 g/mol, XLogP of 5.53, 10 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-(4-phenylphenyl)imidazolidin-2-one is sourced from PubChem (CID 25055444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).