(4R)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one

C25H25FN2O4 — CID 143671705

IUPAC(4R)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccccc2)[C@H](c2ccc(O)cc2O)C1CCC(O)c1ccc(F)cc1
InChIInChI=1S/C25H25FN2O4/c1-27-21(13-14-22(30)16-7-9-17(26)10-8-16)24(20-12-11-19(29)15-23(20)31)28(25(27)32)18-5-3-2-4-6-18/h2-12,15,21-22,24,29-31H,13-14H2,1H3/t21?,22?,24-/m1/s1
InChIKeyNROFRONXFSXVGC-UBVWURDFSA-N
MW436.48 g/mol
LogP4.73
Rot. Bonds6

About (4R)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one

(4R)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one (PubChem CID 143671705) has the molecular formula C25H25FN2O4 and a molecular weight of 436.48 g/mol. Its IUPAC name is (4R)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one
PubChem CID143671705
Molecular FormulaC25H25FN2O4
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name(4R)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccccc2)[C@H](c2ccc(O)cc2O)C1CCC(O)c1ccc(F)cc1
InChIInChI=1S/C25H25FN2O4/c1-27-21(13-14-22(30)16-7-9-17(26)10-8-16)24(20-12-11-19(29)15-23(20)31)28(25(27)32)18-5-3-2-4-6-18/h2-12,15,21-22,24,29-31H,13-14H2,1H3/t21?,22?,24-/m1/s1
InChIKeyNROFRONXFSXVGC-UBVWURDFSA-N
XLogP4.73
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.73
H-Bond Donors ≤ 53
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)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one?
The IUPAC name of (4R)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one (CID 143671705) is (4R)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one.
What is the SMILES notation for (4R)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one?
The canonical SMILES for (4R)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one is CN1C(=O)N(c2ccccc2)[C@H](c2ccc(O)cc2O)C1CCC(O)c1ccc(F)cc1.
What is the InChIKey of (4R)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one?
The InChIKey is NROFRONXFSXVGC-UBVWURDFSA-N. The full InChI is InChI=1S/C25H25FN2O4/c1-27-21(13-14-22(30)16-7-9-17(26)10-8-16)24(20-12-11-19(29)15-23(20)31)28(25(27)32)18-5-3-2-4-6-18/h2-12,15,21-22,24,29-31H,13-14H2,1H3/t21?,22?,24-/m1/s1.
What are the key properties of (4R)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one?
(4R)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one has a molecular weight of 436.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-3-phenylimidazolidin-2-one is sourced from PubChem (CID 143671705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).