(4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one

C30H27FN2O4 — CID 25055192

IUPAC(4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one
SMILESO=C1N[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H27FN2O4/c31-22-10-6-21(7-11-22)27(35)17-16-26-29(25-15-14-24(34)18-28(25)36)33(30(37)32-26)23-12-8-20(9-13-23)19-4-2-1-3-5-19/h1-15,18,26-27,29,34-36H,16-17H2,(H,32,37)/t26-,27+,29-/m1/s1
InChIKeyICSZPMVTUIKQAN-IUAQSZDVSA-N
MW498.55 g/mol
LogP6.06
Rot. Bonds7

About (4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one

(4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one (PubChem CID 25055192) has the molecular formula C30H27FN2O4 and a molecular weight of 498.55 g/mol. Its IUPAC name is (4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one
PubChem CID25055192
Molecular FormulaC30H27FN2O4
Molecular Weight498.55 g/mol
Exact Mass498.20
IUPAC Name(4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one
SMILESO=C1N[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H27FN2O4/c31-22-10-6-21(7-11-22)27(35)17-16-26-29(25-15-14-24(34)18-28(25)36)33(30(37)32-26)23-12-8-20(9-13-23)19-4-2-1-3-5-19/h1-15,18,26-27,29,34-36H,16-17H2,(H,32,37)/t26-,27+,29-/m1/s1
InChIKeyICSZPMVTUIKQAN-IUAQSZDVSA-N
XLogP6.06
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.55
LogP ≤ 56.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one?
The IUPAC name of (4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one (CID 25055192) is (4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one is O=C1N[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2O)N1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one?
The InChIKey is ICSZPMVTUIKQAN-IUAQSZDVSA-N. The full InChI is InChI=1S/C30H27FN2O4/c31-22-10-6-21(7-11-22)27(35)17-16-26-29(25-15-14-24(34)18-28(25)36)33(30(37)32-26)23-12-8-20(9-13-23)19-4-2-1-3-5-19/h1-15,18,26-27,29,34-36H,16-17H2,(H,32,37)/t26-,27+,29-/m1/s1.
What are the key properties of (4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one?
(4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one has a molecular weight of 498.55 g/mol, XLogP of 6.06, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)imidazolidin-2-one is sourced from PubChem (CID 25055192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).