3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione

C10H11N3O2 — CID 58896389

IUPAC3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(c2ccc(N)cc2)C1=O
InChIInChI=1S/C10H11N3O2/c1-12-6-9(14)13(10(12)15)8-4-2-7(11)3-5-8/h2-5H,6,11H2,1H3
InChIKeyJWXBOYYAXRRVBF-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.67
Rot. Bonds1

About 3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione

3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione (PubChem CID 58896389) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione
PubChem CID58896389
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(c2ccc(N)cc2)C1=O
InChIInChI=1S/C10H11N3O2/c1-12-6-9(14)13(10(12)15)8-4-2-7(11)3-5-8/h2-5H,6,11H2,1H3
InChIKeyJWXBOYYAXRRVBF-UHFFFAOYSA-N
XLogP0.67
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione (CID 58896389) is 3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(c2ccc(N)cc2)C1=O.
What is the InChIKey of 3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione?
The InChIKey is JWXBOYYAXRRVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-12-6-9(14)13(10(12)15)8-4-2-7(11)3-5-8/h2-5H,6,11H2,1H3.
What are the key properties of 3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione?
3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione has a molecular weight of 205.22 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 58896389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).