1-(2-nitrophenyl)benzimidazole

C13H9N3O2 — CID 794657

IUPAC1-(2-nitrophenyl)benzimidazole
SMILESO=[N+]([O-])c1ccccc1-n1cnc2ccccc21
InChIInChI=1S/C13H9N3O2/c17-16(18)13-8-4-3-7-12(13)15-9-14-10-5-1-2-6-11(10)15/h1-9H
InChIKeyBDWWFKRQAASYHR-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.93
Rot. Bonds2

About 1-(2-nitrophenyl)benzimidazole

1-(2-nitrophenyl)benzimidazole (PubChem CID 794657) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-(2-nitrophenyl)benzimidazole.

Molecular Properties

Compound Name1-(2-nitrophenyl)benzimidazole
PubChem CID794657
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name1-(2-nitrophenyl)benzimidazole
SMILESO=[N+]([O-])c1ccccc1-n1cnc2ccccc21
InChIInChI=1S/C13H9N3O2/c17-16(18)13-8-4-3-7-12(13)15-9-14-10-5-1-2-6-11(10)15/h1-9H
InChIKeyBDWWFKRQAASYHR-UHFFFAOYSA-N
XLogP2.93
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
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 1-(2-nitrophenyl)benzimidazole?
The IUPAC name of 1-(2-nitrophenyl)benzimidazole (CID 794657) is 1-(2-nitrophenyl)benzimidazole.
What is the SMILES notation for 1-(2-nitrophenyl)benzimidazole?
The canonical SMILES for 1-(2-nitrophenyl)benzimidazole is O=[N+]([O-])c1ccccc1-n1cnc2ccccc21.
What is the InChIKey of 1-(2-nitrophenyl)benzimidazole?
The InChIKey is BDWWFKRQAASYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-16(18)13-8-4-3-7-12(13)15-9-14-10-5-1-2-6-11(10)15/h1-9H.
What are the key properties of 1-(2-nitrophenyl)benzimidazole?
1-(2-nitrophenyl)benzimidazole has a molecular weight of 239.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)benzimidazole is sourced from PubChem (CID 794657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).