1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione

C14H8ClN3O3 — CID 69352115

IUPAC1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione
SMILESO=C1N=CN(N=Cc2ccc(-c3ccc(Cl)cc3)o2)C1=O
InChIInChI=1S/C14H8ClN3O3/c15-10-3-1-9(2-4-10)12-6-5-11(21-12)7-17-18-8-16-13(19)14(18)20/h1-8H
InChIKeyWVLZZMDXWHUZHW-UHFFFAOYSA-N
MW301.69 g/mol
LogP2.33
Rot. Bonds3

About 1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione

1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione (PubChem CID 69352115) has the molecular formula C14H8ClN3O3 and a molecular weight of 301.69 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione
PubChem CID69352115
Molecular FormulaC14H8ClN3O3
Molecular Weight301.69 g/mol
Exact Mass301.03
IUPAC Name1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione
SMILESO=C1N=CN(N=Cc2ccc(-c3ccc(Cl)cc3)o2)C1=O
InChIInChI=1S/C14H8ClN3O3/c15-10-3-1-9(2-4-10)12-6-5-11(21-12)7-17-18-8-16-13(19)14(18)20/h1-8H
InChIKeyWVLZZMDXWHUZHW-UHFFFAOYSA-N
XLogP2.33
TPSA75.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,6R,7R,8S,10S)-4-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98072553
2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione
CID 5437075
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione
CID 19375579
(5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 29228573
6-bromo-3-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-propan-2-ylquinazolin-4-one
CID 126297013
(E)-1-[5-(4-methylphenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6858454
(5Z)-3-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6022754
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208900
5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine
CID 23823708
N-[(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 5291266
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 6891757
5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 1352038

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione?
The IUPAC name of 1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione (CID 69352115) is 1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione?
The canonical SMILES for 1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione is O=C1N=CN(N=Cc2ccc(-c3ccc(Cl)cc3)o2)C1=O.
What is the InChIKey of 1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione?
The InChIKey is WVLZZMDXWHUZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O3/c15-10-3-1-9(2-4-10)12-6-5-11(21-12)7-17-18-8-16-13(19)14(18)20/h1-8H.
What are the key properties of 1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione?
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione has a molecular weight of 301.69 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione is sourced from PubChem (CID 69352115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).