6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole

C11H6N4O5 — CID 623646

IUPAC6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c2c1
InChIInChI=1S/C11H6N4O5/c16-14(17)6-1-2-7-8(5-6)13-11(12-7)9-3-4-10(20-9)15(18)19/h1-5H,(H,12,13)
InChIKeyQZARPLILBWVJRA-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.64
Rot. Bonds3

About 6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole

6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole (PubChem CID 623646) has the molecular formula C11H6N4O5 and a molecular weight of 274.19 g/mol. Its IUPAC name is 6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole
PubChem CID623646
Molecular FormulaC11H6N4O5
Molecular Weight274.19 g/mol
Exact Mass274.03
IUPAC Name6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c2c1
InChIInChI=1S/C11H6N4O5/c16-14(17)6-1-2-7-8(5-6)13-11(12-7)9-3-4-10(20-9)15(18)19/h1-5H,(H,12,13)
InChIKeyQZARPLILBWVJRA-UHFFFAOYSA-N
XLogP2.64
TPSA128.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole?
The IUPAC name of 6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole (CID 623646) is 6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole.
What is the SMILES notation for 6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole?
The canonical SMILES for 6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole is O=[N+]([O-])c1ccc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c2c1.
What is the InChIKey of 6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole?
The InChIKey is QZARPLILBWVJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O5/c16-14(17)6-1-2-7-8(5-6)13-11(12-7)9-3-4-10(20-9)15(18)19/h1-5H,(H,12,13).
What are the key properties of 6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole?
6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole has a molecular weight of 274.19 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-(5-nitrofuran-2-yl)-1H-benzimidazole is sourced from PubChem (CID 623646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).