1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione

C23H28N2O6 — CID 21236411

IUPAC1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CC(O)COc2ccccc2)C(=O)N1CC(O)COc1ccccc1
InChIInChI=1S/C23H28N2O6/c1-23(2)21(28)24(13-17(26)15-30-19-9-5-3-6-10-19)22(29)25(23)14-18(27)16-31-20-11-7-4-8-12-20/h3-12,17-18,26-27H,13-16H2,1-2H3
InChIKeyANWSJCRGPHPJPU-UHFFFAOYSA-N
MW428.49 g/mol
LogP1.91
Rot. Bonds10

About 1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione

1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 21236411) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID21236411
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CC(O)COc2ccccc2)C(=O)N1CC(O)COc1ccccc1
InChIInChI=1S/C23H28N2O6/c1-23(2)21(28)24(13-17(26)15-30-19-9-5-3-6-10-19)22(29)25(23)14-18(27)16-31-20-11-7-4-8-12-20/h3-12,17-18,26-27H,13-16H2,1-2H3
InChIKeyANWSJCRGPHPJPU-UHFFFAOYSA-N
XLogP1.91
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389915
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94389630
5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 18275453
1,3-bis[3-(2,4-dinitrophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 21238505
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
4-[4-[2-hydroxy-3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propoxy]phenyl]benzonitrile
CID 70126090
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31574475
5-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 46613397
3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 94817997
2-[(2R)-2-hydroxy-3-phenoxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 92794551
2-[(2S)-3-[4-[(2R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]isoindole-1,3-dione
CID 1102637

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione (CID 21236411) is 1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(CC(O)COc2ccccc2)C(=O)N1CC(O)COc1ccccc1.
What is the InChIKey of 1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ANWSJCRGPHPJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-23(2)21(28)24(13-17(26)15-30-19-9-5-3-6-10-19)22(29)25(23)14-18(27)16-31-20-11-7-4-8-12-20/h3-12,17-18,26-27H,13-16H2,1-2H3.
What are the key properties of 1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione?
1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 428.49 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 21236411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).