1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione

C12H13N3O4 — CID 81150032

IUPAC1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCOc1cc(N)cc(CN2C(=O)C(=O)N(C)C2=O)c1
InChIInChI=1S/C12H13N3O4/c1-14-10(16)11(17)15(12(14)18)6-7-3-8(13)5-9(4-7)19-2/h3-5H,6,13H2,1-2H3
InChIKeyJGSYBPXNLSNYJB-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.20
Rot. Bonds3

About 1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione

1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 81150032) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID81150032
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCOc1cc(N)cc(CN2C(=O)C(=O)N(C)C2=O)c1
InChIInChI=1S/C12H13N3O4/c1-14-10(16)11(17)15(12(14)18)6-7-3-8(13)5-9(4-7)19-2/h3-5H,6,13H2,1-2H3
InChIKeyJGSYBPXNLSNYJB-UHFFFAOYSA-N
XLogP0.20
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione (CID 81150032) is 1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione is COc1cc(N)cc(CN2C(=O)C(=O)N(C)C2=O)c1.
What is the InChIKey of 1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is JGSYBPXNLSNYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-14-10(16)11(17)15(12(14)18)6-7-3-8(13)5-9(4-7)19-2/h3-5H,6,13H2,1-2H3.
What are the key properties of 1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione?
1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 263.25 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 81150032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).