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

C11H8F3N3O2 — CID 9350659

IUPAC1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(/N=C\c2ccc(C(F)(F)F)cc2)C(=O)N1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)8-3-1-7(2-4-8)5-15-17-6-9(18)16-10(17)19/h1-5H,6H2,(H,16,18,19)/b15-5-
InChIKeyPDXHCXRDKHTFTM-WCSRMQSCSA-N
MW271.20 g/mol
LogP1.59
Rot. Bonds2

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

1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 9350659) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
PubChem CID9350659
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(/N=C\c2ccc(C(F)(F)F)cc2)C(=O)N1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)8-3-1-7(2-4-8)5-15-17-6-9(18)16-10(17)19/h1-5H,6H2,(H,16,18,19)/b15-5-
InChIKeyPDXHCXRDKHTFTM-WCSRMQSCSA-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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Related Compounds

3-(pyridin-3-ylmethylideneamino)-6-[4-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-one
CID 123214559
3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643524
8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 6911594
N-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine
CID 175162135
[5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-yl]-hydroxy-oxoazanium
CID 157046616
2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1)
CID 77176029
1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 175428899
6-(1,1,2,2,2-pentafluoroethyl)-3-(pyridin-3-ylmethylideneamino)-1,4-dihydroquinazolin-2-one
CID 73021333
1-[(Z)-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]phenyl]methylideneamino]imidazolidine-2,4-dione
CID 9043143
6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(E)-pyridin-3-ylmethylideneamino]-1,4-dihydroquinazolin-2-one
CID 172947850
1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione
CID 71373871
(E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 5347654

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione (CID 9350659) is 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione is O=C1CN(/N=C\c2ccc(C(F)(F)F)cc2)C(=O)N1.
What is the InChIKey of 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is PDXHCXRDKHTFTM-WCSRMQSCSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)8-3-1-7(2-4-8)5-15-17-6-9(18)16-10(17)19/h1-5H,6H2,(H,16,18,19)/b15-5-.
What are the key properties of 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
1-[(Z)-[4-(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-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 9350659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).