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

C15H17BrN2O5 — CID 8626674

IUPAC1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(Cc2cc(OC)c(Br)cc2OC)C1=O
InChIInChI=1S/C15H17BrN2O5/c1-4-5-17-13(19)14(20)18(15(17)21)8-9-6-12(23-3)10(16)7-11(9)22-2/h6-7H,4-5,8H2,1-3H3
InChIKeyIVGGSYQCLUDTPY-UHFFFAOYSA-N
MW385.21 g/mol
LogP2.17
Rot. Bonds6

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

1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione (PubChem CID 8626674) has the molecular formula C15H17BrN2O5 and a molecular weight of 385.21 g/mol. Its IUPAC name is 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
PubChem CID8626674
Molecular FormulaC15H17BrN2O5
Molecular Weight385.21 g/mol
Exact Mass384.03
IUPAC Name1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(Cc2cc(OC)c(Br)cc2OC)C1=O
InChIInChI=1S/C15H17BrN2O5/c1-4-5-17-13(19)14(20)18(15(17)21)8-9-6-12(23-3)10(16)7-11(9)22-2/h6-7H,4-5,8H2,1-3H3
InChIKeyIVGGSYQCLUDTPY-UHFFFAOYSA-N
XLogP2.17
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 52.17
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-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
CID 8627201
2-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 42988070
N-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8627196
3-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 16605599
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]isoindole-1,3-dione
CID 162236502
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118
2-[[2-bromo-5-(hydroxymethyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione
CID 58245694
1,4-bis(bromomethyl)-2,5-dimethoxybenzene;2-[[4-(bromomethyl)-2,5-dimethoxyphenyl]methyl]isoindole-1,3-dione
CID 160888133
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672717
1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene
CID 64787018
1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819
1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862894

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione (CID 8626674) is 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione is CCCN1C(=O)C(=O)N(Cc2cc(OC)c(Br)cc2OC)C1=O.
What is the InChIKey of 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione?
The InChIKey is IVGGSYQCLUDTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O5/c1-4-5-17-13(19)14(20)18(15(17)21)8-9-6-12(23-3)10(16)7-11(9)22-2/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione?
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione has a molecular weight of 385.21 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione is sourced from PubChem (CID 8626674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).