1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione

C11H8F3N3O2 — CID 70560770

IUPAC1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(N=Cc2cccc(C(F)(F)F)c2)C(=O)N1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)8-3-1-2-7(4-8)5-15-17-6-9(18)16-10(17)19/h1-5H,6H2,(H,16,18,19)
InChIKeyIJDWSOLHZIONBZ-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.59
Rot. Bonds2

About 1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione

1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 70560770) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
PubChem CID70560770
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(N=Cc2cccc(C(F)(F)F)c2)C(=O)N1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)8-3-1-2-7(4-8)5-15-17-6-9(18)16-10(17)19/h1-5H,6H2,(H,16,18,19)
InChIKeyIJDWSOLHZIONBZ-UHFFFAOYSA-N
XLogP1.59
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione (CID 70560770) is 1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione is O=C1CN(N=Cc2cccc(C(F)(F)F)c2)C(=O)N1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is IJDWSOLHZIONBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)8-3-1-2-7(4-8)5-15-17-6-9(18)16-10(17)19/h1-5H,6H2,(H,16,18,19).
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione has a molecular weight of 271.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 70560770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).