(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-[(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-1-methyl-2-oxo-3-(4-phenylphenyl)imidazolidin-4-yl]-3-hydroxyphenyl]phenyl]-trihydroxyphosphanium
CID 71103555
(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
(4S,5S)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)pyrrolidin-2-one
CID 71103913
(4R,5S)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(2-hydroxy-4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione
CID 143652013
(3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(2-hydroxy-4-phenylphenyl)-1-phenylazetidin-2-one
CID 141160315
(4R,5S)-4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-3-(4-phenylphenyl)-1,3-thiazolidine-2-thione
CID 89278196
(3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[2-hydroxy-4-(2-hydroxyphenyl)phenyl]-1-phenylazetidin-2-one
CID 69257560
5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-(2-hydroxy-4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-2-one
CID 76604373
[3-[4-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-hydroxyphenyl]phenyl]phosphonic acid
CID 72783345
(4S,5S)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-(2-hydroxy-4-methoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 71103903
(4R,5R)-4-(2,4-dihydroxyphenyl)-5-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]-3-(4-phenylphenyl)-1,3-thiazolidine-2-thione
CID 89278187
4-(2,4-dihydroxyphenyl)-5-[3-(4-fluorophenyl)propyl]-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(2-hydroxy-4-methoxyphenyl)-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(2-hydroxy-4-methoxyphenyl)-3-phenyl-1,3-oxazolidine-2-thione;(4R,5R)-5-[3-(4-fluorophenyl)propyl]-4-(2-hydroxy-4-methoxyphenyl)-3-phenyl-1,3-oxazolidine-2-thione
CID 161274725

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).