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

C14H10N6O3 — CID 10448086

IUPAC1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
SMILES[N-]=[N+]=Nc1ccc(-c2ccc(/C=N/N3CC(=O)NC3=O)o2)cc1
InChIInChI=1S/C14H10N6O3/c15-19-18-10-3-1-9(2-4-10)12-6-5-11(23-12)7-16-20-8-13(21)17-14(20)22/h1-7H,8H2,(H,17,21,22)/b16-7+
InChIKeyNGXFSJFFDPPDAW-FRKPEAEDSA-N
MW310.27 g/mol
LogP2.77
Rot. Bonds4

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

1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 10448086) has the molecular formula C14H10N6O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is 1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
PubChem CID10448086
Molecular FormulaC14H10N6O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Name1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
SMILES[N-]=[N+]=Nc1ccc(-c2ccc(/C=N/N3CC(=O)NC3=O)o2)cc1
InChIInChI=1S/C14H10N6O3/c15-19-18-10-3-1-9(2-4-10)12-6-5-11(23-12)7-16-20-8-13(21)17-14(20)22/h1-7H,8H2,(H,17,21,22)/b16-7+
InChIKeyNGXFSJFFDPPDAW-FRKPEAEDSA-N
XLogP2.77
TPSA123.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 26918
1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 175428899
1-methylpyridin-1-ium;1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 22750243
[5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-yl]-hydroxy-oxoazanium
CID 157046616
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-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione
CID 19375579
1-[(E)-[5-(4-nitrophenyl)furan-3-yl]methylideneamino]imidazolidine-2,4-dione
CID 18327296
3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 142563430
[5-(4-azidophenyl)furan-2-yl]methanol
CID 10584773
2-(2-methyl-5-nitroimidazol-1-yl)ethanol;1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 174828543
4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide
CID 9217266

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione (CID 10448086) is 1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione is [N-]=[N+]=Nc1ccc(-c2ccc(/C=N/N3CC(=O)NC3=O)o2)cc1.
What is the InChIKey of 1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is NGXFSJFFDPPDAW-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H10N6O3/c15-19-18-10-3-1-9(2-4-10)12-6-5-11(23-12)7-16-20-8-13(21)17-14(20)22/h1-7H,8H2,(H,17,21,22)/b16-7+.
What are the key properties of 1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione?
1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione has a molecular weight of 310.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 10448086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).