imidazole-2-selone

C3H2N2Se — CID 18327897

IUPACimidazole-2-selone
SMILES[Se]=C1N=CC=N1
InChIInChI=1S/C3H2N2Se/c6-3-4-1-2-5-3/h1-2H
InChIKeyDDPZHXJDXXAPBA-UHFFFAOYSA-N
MW145.02 g/mol
LogP-0.60
Rot. Bonds

About imidazole-2-selone

imidazole-2-selone (PubChem CID 18327897) has the molecular formula C3H2N2Se and a molecular weight of 145.02 g/mol. Its IUPAC name is imidazole-2-selone.

Molecular Properties

Compound Nameimidazole-2-selone
PubChem CID18327897
Molecular FormulaC3H2N2Se
Molecular Weight145.02 g/mol
Exact Mass145.94
IUPAC Nameimidazole-2-selone
SMILES[Se]=C1N=CC=N1
InChIInChI=1S/C3H2N2Se/c6-3-4-1-2-5-3/h1-2H
InChIKeyDDPZHXJDXXAPBA-UHFFFAOYSA-N
XLogP-0.60
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.02
LogP ≤ 5-0.60
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 imidazole-2-selone?
The IUPAC name of imidazole-2-selone (CID 18327897) is imidazole-2-selone.
What is the SMILES notation for imidazole-2-selone?
The canonical SMILES for imidazole-2-selone is [Se]=C1N=CC=N1.
What is the InChIKey of imidazole-2-selone?
The InChIKey is DDPZHXJDXXAPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N2Se/c6-3-4-1-2-5-3/h1-2H.
What are the key properties of imidazole-2-selone?
imidazole-2-selone has a molecular weight of 145.02 g/mol, XLogP of -0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imidazole-2-selone is sourced from PubChem (CID 18327897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).