5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole

C6H4N6O5 — CID 57232359

IUPAC5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole
SMILESO=[N+]([O-])c1[nH]cnc1Oc1nc[nH]c1[N+](=O)[O-]
InChIInChI=1S/C6H4N6O5/c13-11(14)3-5(9-1-7-3)17-6-4(12(15)16)8-2-10-6/h1-2H,(H,7,9)(H,8,10)
InChIKeyUIDVQGLCAAFNTN-UHFFFAOYSA-N
MW240.14 g/mol
LogP0.74
Rot. Bonds4

About 5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole

5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole (PubChem CID 57232359) has the molecular formula C6H4N6O5 and a molecular weight of 240.14 g/mol. Its IUPAC name is 5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole.

Molecular Properties

Compound Name5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole
PubChem CID57232359
Molecular FormulaC6H4N6O5
Molecular Weight240.14 g/mol
Exact Mass240.02
IUPAC Name5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole
SMILESO=[N+]([O-])c1[nH]cnc1Oc1nc[nH]c1[N+](=O)[O-]
InChIInChI=1S/C6H4N6O5/c13-11(14)3-5(9-1-7-3)17-6-4(12(15)16)8-2-10-6/h1-2H,(H,7,9)(H,8,10)
InChIKeyUIDVQGLCAAFNTN-UHFFFAOYSA-N
XLogP0.74
TPSA152.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole?
The IUPAC name of 5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole (CID 57232359) is 5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole.
What is the SMILES notation for 5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole?
The canonical SMILES for 5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole is O=[N+]([O-])c1[nH]cnc1Oc1nc[nH]c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole?
The InChIKey is UIDVQGLCAAFNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6O5/c13-11(14)3-5(9-1-7-3)17-6-4(12(15)16)8-2-10-6/h1-2H,(H,7,9)(H,8,10).
What are the key properties of 5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole?
5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole has a molecular weight of 240.14 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-[(5-nitro-1H-imidazol-4-yl)oxy]-1H-imidazole is sourced from PubChem (CID 57232359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).