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

C14H10N4O5 — CID 18327296

IUPAC1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(/N=C/c2coc(-c3ccc([N+](=O)[O-])cc3)c2)C(=O)N1
InChIInChI=1S/C14H10N4O5/c19-13-7-17(14(20)16-13)15-6-9-5-12(23-8-9)10-1-3-11(4-2-10)18(21)22/h1-6,8H,7H2,(H,16,19,20)/b15-6+
InChIKeyPANCBQQDVPCEKG-GIDUJCDVSA-N
MW314.26 g/mol
LogP1.74
Rot. Bonds4

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

1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 18327296) has the molecular formula C14H10N4O5 and a molecular weight of 314.26 g/mol. Its IUPAC name is 1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione
PubChem CID18327296
Molecular FormulaC14H10N4O5
Molecular Weight314.26 g/mol
Exact Mass314.07
IUPAC Name1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(/N=C/c2coc(-c3ccc([N+](=O)[O-])cc3)c2)C(=O)N1
InChIInChI=1S/C14H10N4O5/c19-13-7-17(14(20)16-13)15-6-9-5-12(23-8-9)10-1-3-11(4-2-10)18(21)22/h1-6,8H,7H2,(H,16,19,20)/b15-6+
InChIKeyPANCBQQDVPCEKG-GIDUJCDVSA-N
XLogP1.74
TPSA118.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methylpyridin-1-ium;1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 22750243
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 6604200
2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1)
CID 77176029
1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione
CID 71373871
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 26918
1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
CID 9350659
1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 10448086
5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran
CID 150805436
1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine
CID 71401110
2-(2-methyl-5-nitroimidazol-1-yl)ethanol;1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 174828543
(2Z)-2-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135958588
(2E)-2-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135779965

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione (CID 18327296) is 1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione is O=C1CN(/N=C/c2coc(-c3ccc([N+](=O)[O-])cc3)c2)C(=O)N1.
What is the InChIKey of 1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is PANCBQQDVPCEKG-GIDUJCDVSA-N. The full InChI is InChI=1S/C14H10N4O5/c19-13-7-17(14(20)16-13)15-6-9-5-12(23-8-9)10-1-3-11(4-2-10)18(21)22/h1-6,8H,7H2,(H,16,19,20)/b15-6+.
What are the key properties of 1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione?
1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione has a molecular weight of 314.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 18327296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).