5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione

C10H11N3O2 — CID 42948959

IUPAC5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cccc(N)c2)NC(=O)NC1=O
InChIInChI=1S/C10H11N3O2/c1-10(8(14)12-9(15)13-10)6-3-2-4-7(11)5-6/h2-5H,11H2,1H3,(H2,12,13,14,15)
InChIKeyJJFIISOFQBYREX-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.32
Rot. Bonds1

About 5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione

5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 42948959) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID42948959
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cccc(N)c2)NC(=O)NC1=O
InChIInChI=1S/C10H11N3O2/c1-10(8(14)12-9(15)13-10)6-3-2-4-7(11)5-6/h2-5H,11H2,1H3,(H2,12,13,14,15)
InChIKeyJJFIISOFQBYREX-UHFFFAOYSA-N
XLogP0.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione (CID 42948959) is 5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2cccc(N)c2)NC(=O)NC1=O.
What is the InChIKey of 5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is JJFIISOFQBYREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-10(8(14)12-9(15)13-10)6-3-2-4-7(11)5-6/h2-5H,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione?
5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 205.22 g/mol, XLogP of 0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42948959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).