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

C11H10N2O4 — CID 10561646

IUPAC1-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
SMILESCOc1cccc(CN2C(=O)NC(=O)C2=O)c1
InChIInChI=1S/C11H10N2O4/c1-17-8-4-2-3-7(5-8)6-13-10(15)9(14)12-11(13)16/h2-5H,6H2,1H3,(H,12,14,16)
InChIKeyDJWLYVPRBMBDOO-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.27
Rot. Bonds3

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

1-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione (PubChem CID 10561646) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
PubChem CID10561646
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name1-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
SMILESCOc1cccc(CN2C(=O)NC(=O)C2=O)c1
InChIInChI=1S/C11H10N2O4/c1-17-8-4-2-3-7(5-8)6-13-10(15)9(14)12-11(13)16/h2-5H,6H2,1H3,(H,12,14,16)
InChIKeyDJWLYVPRBMBDOO-UHFFFAOYSA-N
XLogP0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.27
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione (CID 10561646) is 1-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione is COc1cccc(CN2C(=O)NC(=O)C2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is DJWLYVPRBMBDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-17-8-4-2-3-7(5-8)6-13-10(15)9(14)12-11(13)16/h2-5H,6H2,1H3,(H,12,14,16).
What are the key properties of 1-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
1-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 234.21 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 10561646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).