2-(furan-2-yl)-6-nitro-1H-benzimidazole

C11H7N3O3 — CID 615240

IUPAC2-(furan-2-yl)-6-nitro-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc2nc(-c3ccco3)[nH]c2c1
InChIInChI=1S/C11H7N3O3/c15-14(16)7-3-4-8-9(6-7)13-11(12-8)10-2-1-5-17-10/h1-6H,(H,12,13)
InChIKeyVAOCIPZCVAFPGT-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.73
Rot. Bonds2

About 2-(furan-2-yl)-6-nitro-1H-benzimidazole

2-(furan-2-yl)-6-nitro-1H-benzimidazole (PubChem CID 615240) has the molecular formula C11H7N3O3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-nitro-1H-benzimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-6-nitro-1H-benzimidazole
PubChem CID615240
Molecular FormulaC11H7N3O3
Molecular Weight229.20 g/mol
Exact Mass229.05
IUPAC Name2-(furan-2-yl)-6-nitro-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc2nc(-c3ccco3)[nH]c2c1
InChIInChI=1S/C11H7N3O3/c15-14(16)7-3-4-8-9(6-7)13-11(12-8)10-2-1-5-17-10/h1-6H,(H,12,13)
InChIKeyVAOCIPZCVAFPGT-UHFFFAOYSA-N
XLogP2.73
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(furan-2-yl)-6-nitro-1H-benzimidazole?
The IUPAC name of 2-(furan-2-yl)-6-nitro-1H-benzimidazole (CID 615240) is 2-(furan-2-yl)-6-nitro-1H-benzimidazole.
What is the SMILES notation for 2-(furan-2-yl)-6-nitro-1H-benzimidazole?
The canonical SMILES for 2-(furan-2-yl)-6-nitro-1H-benzimidazole is O=[N+]([O-])c1ccc2nc(-c3ccco3)[nH]c2c1.
What is the InChIKey of 2-(furan-2-yl)-6-nitro-1H-benzimidazole?
The InChIKey is VAOCIPZCVAFPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O3/c15-14(16)7-3-4-8-9(6-7)13-11(12-8)10-2-1-5-17-10/h1-6H,(H,12,13).
What are the key properties of 2-(furan-2-yl)-6-nitro-1H-benzimidazole?
2-(furan-2-yl)-6-nitro-1H-benzimidazole has a molecular weight of 229.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-nitro-1H-benzimidazole is sourced from PubChem (CID 615240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).