1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione

C20H19BrN2O6 — CID 55875031

IUPAC1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)N(Cc2ccc(OC)c(OC)c2Br)C1=O
InChIInChI=1S/C20H19BrN2O6/c1-4-29-14-8-6-5-7-13(14)23-19(25)18(24)22(20(23)26)11-12-9-10-15(27-2)17(28-3)16(12)21/h5-10H,4,11H2,1-3H3
InChIKeyDNFRZAZPLIHJEJ-UHFFFAOYSA-N
MW463.28 g/mol
LogP3.36
Rot. Bonds7

About 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione

1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione (PubChem CID 55875031) has the molecular formula C20H19BrN2O6 and a molecular weight of 463.28 g/mol. Its IUPAC name is 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
PubChem CID55875031
Molecular FormulaC20H19BrN2O6
Molecular Weight463.28 g/mol
Exact Mass462.04
IUPAC Name1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)N(Cc2ccc(OC)c(OC)c2Br)C1=O
InChIInChI=1S/C20H19BrN2O6/c1-4-29-14-8-6-5-7-13(14)23-19(25)18(24)22(20(23)26)11-12-9-10-15(27-2)17(28-3)16(12)21/h5-10H,4,11H2,1-3H3
InChIKeyDNFRZAZPLIHJEJ-UHFFFAOYSA-N
XLogP3.36
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
CID 60593622
2-[(2-bromo-3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione
CID 47061601
1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione
CID 55753441
1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione
CID 8606441
(5E)-1-(2-ethoxyphenyl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126251962
2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 55511336
1-[(3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
CID 55579075
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
CID 1240306
2-bromo-1-[[(S)-ethylsulfinyl]methyl]-3,4-dimethoxybenzene
CID 97056142
1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
CID 55988029
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127805
1-benzyl-2-bromo-3,4-dimethoxybenzene
CID 10733510

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione (CID 55875031) is 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione is CCOc1ccccc1N1C(=O)C(=O)N(Cc2ccc(OC)c(OC)c2Br)C1=O.
What is the InChIKey of 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
The InChIKey is DNFRZAZPLIHJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O6/c1-4-29-14-8-6-5-7-13(14)23-19(25)18(24)22(20(23)26)11-12-9-10-15(27-2)17(28-3)16(12)21/h5-10H,4,11H2,1-3H3.
What are the key properties of 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione?
1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione has a molecular weight of 463.28 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 55875031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).