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

C14H15BrN2O4 — CID 8627201

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(Cc2ccc(OC)c(Br)c2)C1=O
InChIInChI=1S/C14H15BrN2O4/c1-3-6-16-12(18)13(19)17(14(16)20)8-9-4-5-11(21-2)10(15)7-9/h4-5,7H,3,6,8H2,1-2H3
InChIKeyYOGHYICASLBYMQ-UHFFFAOYSA-N
MW355.19 g/mol
LogP2.16
Rot. Bonds5

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

1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione (PubChem CID 8627201) has the molecular formula C14H15BrN2O4 and a molecular weight of 355.19 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
PubChem CID8627201
Molecular FormulaC14H15BrN2O4
Molecular Weight355.19 g/mol
Exact Mass354.02
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(Cc2ccc(OC)c(Br)c2)C1=O
InChIInChI=1S/C14H15BrN2O4/c1-3-6-16-12(18)13(19)17(14(16)20)8-9-4-5-11(21-2)10(15)7-9/h4-5,7H,3,6,8H2,1-2H3
InChIKeyYOGHYICASLBYMQ-UHFFFAOYSA-N
XLogP2.16
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(4-bromo-2,5-dimethoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
CID 8626674
3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione
CID 60673988
1-[(3-bromo-4-methoxyphenyl)methyl]pyridin-4-one
CID 55127426
1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
CID 8626573
1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
CID 84602746
2-[(3-bromo-4-methoxyphenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17477501
1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one
CID 54970751
(5E)-5-[(3-bromo-4-propoxyphenyl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 126144872
1-[(3-bromo-4-methoxyphenyl)methyl]-5-iodo-3H-indol-2-one
CID 79783159
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrrol-4-ylium-5-one
CID 123586033
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626885
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64879602

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione (CID 8627201) is 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione is CCCN1C(=O)C(=O)N(Cc2ccc(OC)c(Br)c2)C1=O.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione?
The InChIKey is YOGHYICASLBYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4/c1-3-6-16-12(18)13(19)17(14(16)20)8-9-4-5-11(21-2)10(15)7-9/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione?
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione has a molecular weight of 355.19 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione is sourced from PubChem (CID 8627201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).