3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione

C10H10N4O6 — CID 154206915

IUPAC3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1CCO
InChIInChI=1S/C10H10N4O6/c15-4-3-12-8(16)6-13(10(12)17)11-5-7-1-2-9(20-7)14(18)19/h1-2,5,15H,3-4,6H2
InChIKeyTWLHXPNXGVFASI-UHFFFAOYSA-N
MW282.21 g/mol
LogP-0.22
Rot. Bonds5

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

3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 154206915) has the molecular formula C10H10N4O6 and a molecular weight of 282.21 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
PubChem CID154206915
Molecular FormulaC10H10N4O6
Molecular Weight282.21 g/mol
Exact Mass282.06
IUPAC Name3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1CCO
InChIInChI=1S/C10H10N4O6/c15-4-3-12-8(16)6-13(10(12)17)11-5-7-1-2-9(20-7)14(18)19/h1-2,5,15H,3-4,6H2
InChIKeyTWLHXPNXGVFASI-UHFFFAOYSA-N
XLogP-0.22
TPSA129.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-(hydroxymethyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 6436103
3-[3-[di(propan-2-yl)amino]propyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 134119051
3-(hydroxymethyl)-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione;[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid
CID 174806147
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-octanoylimidazolidine-2,4-dione
CID 134102413
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
2-(2-methyl-5-nitroimidazol-1-yl)ethanol;1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 174828543
(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
CID 86294905
[3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2,5-dioxoimidazolidin-1-yl]methyl 4-amino-4-oxobutanoate
CID 172941817
5-(methylsulfinylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
CID 71604426
[3-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-1,3-oxazolidin-5-yl]methyl formate
CID 154105430
5-butyl-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one;hydrochloride
CID 54609514

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione (CID 154206915) is 3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione is O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is TWLHXPNXGVFASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O6/c15-4-3-12-8(16)6-13(10(12)17)11-5-7-1-2-9(20-7)14(18)19/h1-2,5,15H,3-4,6H2.
What are the key properties of 3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione?
3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 282.21 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 154206915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).