1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole

C17H14N2Se — CID 102130202

IUPAC1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole
SMILESC(\[Se]c1ccccc1)=C(/c1ccccc1)n1ccnc1
InChIInChI=1S/C17H14N2Se/c1-3-7-15(8-4-1)17(19-12-11-18-14-19)13-20-16-9-5-2-6-10-16/h1-14H/b17-13-
InChIKeyIUNHIKFRZXAFSD-LGMDPLHJSA-N
MW325.27 g/mol
LogP2.76
Rot. Bonds4

About 1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole

1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole (PubChem CID 102130202) has the molecular formula C17H14N2Se and a molecular weight of 325.27 g/mol. Its IUPAC name is 1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole.

Molecular Properties

Compound Name1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole
PubChem CID102130202
Molecular FormulaC17H14N2Se
Molecular Weight325.27 g/mol
Exact Mass326.03
IUPAC Name1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole
SMILESC(\[Se]c1ccccc1)=C(/c1ccccc1)n1ccnc1
InChIInChI=1S/C17H14N2Se/c1-3-7-15(8-4-1)17(19-12-11-18-14-19)13-20-16-9-5-2-6-10-16/h1-14H/b17-13-
InChIKeyIUNHIKFRZXAFSD-LGMDPLHJSA-N
XLogP2.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 52.76
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 1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole?
The IUPAC name of 1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole (CID 102130202) is 1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole.
What is the SMILES notation for 1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole?
The canonical SMILES for 1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole is C(\[Se]c1ccccc1)=C(/c1ccccc1)n1ccnc1.
What is the InChIKey of 1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole?
The InChIKey is IUNHIKFRZXAFSD-LGMDPLHJSA-N. The full InChI is InChI=1S/C17H14N2Se/c1-3-7-15(8-4-1)17(19-12-11-18-14-19)13-20-16-9-5-2-6-10-16/h1-14H/b17-13-.
What are the key properties of 1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole?
1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole has a molecular weight of 325.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole is sourced from PubChem (CID 102130202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).