(5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione

C10H9N3O2 — CID 18345973

IUPAC(5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione
SMILESNc1ccc(/C=C2/NC(=O)NC2=O)cc1
InChIInChI=1S/C10H9N3O2/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(15)12-8/h1-5H,11H2,(H2,12,13,14,15)/b8-5+
InChIKeyGQGFAZFYBKYVNS-VMPITWQZSA-N
MW203.20 g/mol
LogP0.45
Rot. Bonds1

About (5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 18345973) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is (5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID18345973
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name(5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione
SMILESNc1ccc(/C=C2/NC(=O)NC2=O)cc1
InChIInChI=1S/C10H9N3O2/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(15)12-8/h1-5H,11H2,(H2,12,13,14,15)/b8-5+
InChIKeyGQGFAZFYBKYVNS-VMPITWQZSA-N
XLogP0.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.45
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione (CID 18345973) is (5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione is Nc1ccc(/C=C2/NC(=O)NC2=O)cc1.
What is the InChIKey of (5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is GQGFAZFYBKYVNS-VMPITWQZSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(15)12-8/h1-5H,11H2,(H2,12,13,14,15)/b8-5+.
What are the key properties of (5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 203.20 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 18345973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).