1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione

C19H18N2O5 — CID 8597515

IUPAC1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione
SMILESCOc1ccc(N2C(=O)C(=O)N(CCOc3ccccc3C)C2=O)cc1
InChIInChI=1S/C19H18N2O5/c1-13-5-3-4-6-16(13)26-12-11-20-17(22)18(23)21(19(20)24)14-7-9-15(25-2)10-8-14/h3-10H,11-12H2,1-2H3
InChIKeyXHQUJKFHQQNASK-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.38
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione

1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione (PubChem CID 8597515) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione
PubChem CID8597515
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione
SMILESCOc1ccc(N2C(=O)C(=O)N(CCOc3ccccc3C)C2=O)cc1
InChIInChI=1S/C19H18N2O5/c1-13-5-3-4-6-16(13)26-12-11-20-17(22)18(23)21(19(20)24)14-7-9-15(25-2)10-8-14/h3-10H,11-12H2,1-2H3
InChIKeyXHQUJKFHQQNASK-UHFFFAOYSA-N
XLogP2.38
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-fluorophenoxy)ethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7491794
1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione
CID 82116147
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8597411
N-[(2-methoxyphenyl)methyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
CID 7888640
N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888555
1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione
CID 9380129
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7888549
1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 9241351
3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110583819
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
1-phenyl-3-propylimidazolidine-2,4,5-trione
CID 13310932
1-[3-(2-methylphenoxy)propyl]pyrrole-2,5-dione
CID 94688559

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione (CID 8597515) is 1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione is COc1ccc(N2C(=O)C(=O)N(CCOc3ccccc3C)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione?
The InChIKey is XHQUJKFHQQNASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-13-5-3-4-6-16(13)26-12-11-20-17(22)18(23)21(19(20)24)14-7-9-15(25-2)10-8-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione?
1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione has a molecular weight of 354.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 8597515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).