benzimidazole-2-selone

C7H4N2Se — CID 19602233

IUPACbenzimidazole-2-selone
SMILES[Se]=C1N=c2ccccc2=N1
InChIInChI=1S/C7H4N2Se/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H
InChIKeyRCHOHLACSLJTDP-UHFFFAOYSA-N
MW195.08 g/mol
LogP-0.80
Rot. Bonds

About benzimidazole-2-selone

benzimidazole-2-selone (PubChem CID 19602233) has the molecular formula C7H4N2Se and a molecular weight of 195.08 g/mol. Its IUPAC name is benzimidazole-2-selone.

Molecular Properties

Compound Namebenzimidazole-2-selone
PubChem CID19602233
Molecular FormulaC7H4N2Se
Molecular Weight195.08 g/mol
Exact Mass195.95
IUPAC Namebenzimidazole-2-selone
SMILES[Se]=C1N=c2ccccc2=N1
InChIInChI=1S/C7H4N2Se/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H
InChIKeyRCHOHLACSLJTDP-UHFFFAOYSA-N
XLogP-0.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.08
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzimidazole-2-selone?
The IUPAC name of benzimidazole-2-selone (CID 19602233) is benzimidazole-2-selone.
What is the SMILES notation for benzimidazole-2-selone?
The canonical SMILES for benzimidazole-2-selone is [Se]=C1N=c2ccccc2=N1.
What is the InChIKey of benzimidazole-2-selone?
The InChIKey is RCHOHLACSLJTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2Se/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H.
What are the key properties of benzimidazole-2-selone?
benzimidazole-2-selone has a molecular weight of 195.08 g/mol, XLogP of -0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazole-2-selone is sourced from PubChem (CID 19602233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).