potassium;6-nitro-1H-benzimidazole;bromide

C7H5BrKN3O2 — CID 159548284

IUPACpotassium;6-nitro-1H-benzimidazole;bromide
SMILESO=[N+]([O-])c1ccc2nc[nH]c2c1.[Br-].[K+]
InChIInChI=1S/C7H5N3O2.BrH.K/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;;/h1-4H,(H,8,9);1H;/q;;+1/p-1
InChIKeyMFBMXGXUZVGDGD-UHFFFAOYSA-M
MW282.14 g/mol
LogP-4.52
Rot. Bonds1

About potassium;6-nitro-1H-benzimidazole;bromide

potassium;6-nitro-1H-benzimidazole;bromide (PubChem CID 159548284) has the molecular formula C7H5BrKN3O2 and a molecular weight of 282.14 g/mol. Its IUPAC name is potassium;6-nitro-1H-benzimidazole;bromide.

Molecular Properties

Compound Namepotassium;6-nitro-1H-benzimidazole;bromide
PubChem CID159548284
Molecular FormulaC7H5BrKN3O2
Molecular Weight282.14 g/mol
Exact Mass280.92
IUPAC Namepotassium;6-nitro-1H-benzimidazole;bromide
SMILESO=[N+]([O-])c1ccc2nc[nH]c2c1.[Br-].[K+]
InChIInChI=1S/C7H5N3O2.BrH.K/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;;/h1-4H,(H,8,9);1H;/q;;+1/p-1
InChIKeyMFBMXGXUZVGDGD-UHFFFAOYSA-M
XLogP-4.52
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 5-4.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

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1H-benzimidazole;2,4,6-trinitrophenol
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Frequently Asked Questions

What is the IUPAC name of potassium;6-nitro-1H-benzimidazole;bromide?
The IUPAC name of potassium;6-nitro-1H-benzimidazole;bromide (CID 159548284) is potassium;6-nitro-1H-benzimidazole;bromide.
What is the SMILES notation for potassium;6-nitro-1H-benzimidazole;bromide?
The canonical SMILES for potassium;6-nitro-1H-benzimidazole;bromide is O=[N+]([O-])c1ccc2nc[nH]c2c1.[Br-].[K+].
What is the InChIKey of potassium;6-nitro-1H-benzimidazole;bromide?
The InChIKey is MFBMXGXUZVGDGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5N3O2.BrH.K/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;;/h1-4H,(H,8,9);1H;/q;;+1/p-1.
What are the key properties of potassium;6-nitro-1H-benzimidazole;bromide?
potassium;6-nitro-1H-benzimidazole;bromide has a molecular weight of 282.14 g/mol, XLogP of -4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;6-nitro-1H-benzimidazole;bromide is sourced from PubChem (CID 159548284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).