1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine

C13H15N3Se — CID 136861254

IUPAC1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine
SMILESC(=N/CCC[Se]c1ccccc1)\c1ncc[nH]1
InChIInChI=1S/C13H15N3Se/c1-2-5-12(6-3-1)17-10-4-7-14-11-13-15-8-9-16-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,15,16)/b14-11+
InChIKeyAYAPXSBDDAUYAI-SDNWHVSQSA-N
MW292.24 g/mol
LogP1.67
Rot. Bonds6

About 1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine

1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine (PubChem CID 136861254) has the molecular formula C13H15N3Se and a molecular weight of 292.24 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine
PubChem CID136861254
Molecular FormulaC13H15N3Se
Molecular Weight292.24 g/mol
Exact Mass293.04
IUPAC Name1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine
SMILESC(=N/CCC[Se]c1ccccc1)\c1ncc[nH]1
InChIInChI=1S/C13H15N3Se/c1-2-5-12(6-3-1)17-10-4-7-14-11-13-15-8-9-16-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,15,16)/b14-11+
InChIKeyAYAPXSBDDAUYAI-SDNWHVSQSA-N
XLogP1.67
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine (CID 136861254) is 1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine is C(=N/CCC[Se]c1ccccc1)\c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine?
The InChIKey is AYAPXSBDDAUYAI-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H15N3Se/c1-2-5-12(6-3-1)17-10-4-7-14-11-13-15-8-9-16-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,15,16)/b14-11+.
What are the key properties of 1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine?
1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine has a molecular weight of 292.24 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine is sourced from PubChem (CID 136861254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).