1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione

C14H9Cl2N3O3 — CID 26918

IUPAC1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(N=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1
InChIInChI=1S/C14H9Cl2N3O3/c15-10-3-1-8(5-11(10)16)12-4-2-9(22-12)6-17-19-7-13(20)18-14(19)21/h1-6H,7H2,(H,18,20,21)
InChIKeyHIQONTNPQNNMST-UHFFFAOYSA-N
MW338.15 g/mol
LogP3.14
Rot. Bonds3

About 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione

1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 26918) has the molecular formula C14H9Cl2N3O3 and a molecular weight of 338.15 g/mol. Its IUPAC name is 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
PubChem CID26918
Molecular FormulaC14H9Cl2N3O3
Molecular Weight338.15 g/mol
Exact Mass337.00
IUPAC Name1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(N=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1
InChIInChI=1S/C14H9Cl2N3O3/c15-10-3-1-8(5-11(10)16)12-4-2-9(22-12)6-17-19-7-13(20)18-14(19)21/h1-6H,7H2,(H,18,20,21)
InChIKeyHIQONTNPQNNMST-UHFFFAOYSA-N
XLogP3.14
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 175428899
1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 10448086
2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione
CID 5437075
(Z)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6113221
1-methylpyridin-1-ium;1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 22750243
3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride
CID 24839038
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1268563
(NZ)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 5343283
(1R,2S,6S,7R,8S,10S)-4-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98104926
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 6604200
[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

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione (CID 26918) is 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione is O=C1CN(N=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1.
What is the InChIKey of 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is HIQONTNPQNNMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3/c15-10-3-1-8(5-11(10)16)12-4-2-9(22-12)6-17-19-7-13(20)18-14(19)21/h1-6H,7H2,(H,18,20,21).
What are the key properties of 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione?
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione has a molecular weight of 338.15 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 26918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).