5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione

C27H26N2O7 — CID 46613336

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(O)COc2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C27H26N2O7/c1-27(18-7-12-23-24(15-18)34-14-13-33-23)25(31)29(26(32)28-27)16-19(30)17-35-20-8-10-22(11-9-20)36-21-5-3-2-4-6-21/h2-12,15,19,30H,13-14,16-17H2,1H3,(H,28,32)
InChIKeyPXBZXIRCIVRUGS-UHFFFAOYSA-N
MW490.51 g/mol
LogP3.46
Rot. Bonds8

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione (PubChem CID 46613336) has the molecular formula C27H26N2O7 and a molecular weight of 490.51 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione
PubChem CID46613336
Molecular FormulaC27H26N2O7
Molecular Weight490.51 g/mol
Exact Mass490.17
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(O)COc2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C27H26N2O7/c1-27(18-7-12-23-24(15-18)34-14-13-33-23)25(31)29(26(32)28-27)16-19(30)17-35-20-8-10-22(11-9-20)36-21-5-3-2-4-6-21/h2-12,15,19,30H,13-14,16-17H2,1H3,(H,28,32)
InChIKeyPXBZXIRCIVRUGS-UHFFFAOYSA-N
XLogP3.46
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 18087052
5-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 46613397
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 94817997
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-methylpropyl)imidazolidine-2,4-dione
CID 17480412
3'-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 46797704
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999
(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7483865
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-phenylacetamide
CID 7962287
3'-(2-hydroxy-3-phenoxypropyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17446580
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 7483911
butyl 2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7483962
2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 7962163

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione (CID 46613336) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(O)COc2ccc(Oc3ccccc3)cc2)C1=O.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is PXBZXIRCIVRUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O7/c1-27(18-7-12-23-24(15-18)34-14-13-33-23)25(31)29(26(32)28-27)16-19(30)17-35-20-8-10-22(11-9-20)36-21-5-3-2-4-6-21/h2-12,15,19,30H,13-14,16-17H2,1H3,(H,28,32).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 490.51 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 46613336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).