2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one

C20H13NO2Se — CID 166634575

IUPAC2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one
SMILESO=C(c1ccccc1)c1ccc(-n2[se]c3ccccc3c2=O)cc1
InChIInChI=1S/C20H13NO2Se/c22-19(14-6-2-1-3-7-14)15-10-12-16(13-11-15)21-20(23)17-8-4-5-9-18(17)24-21/h1-13H
InChIKeyILQQKGSMHYSBRH-UHFFFAOYSA-N
MW378.29 g/mol
LogP3.28
Rot. Bonds3

About 2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one

2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one (PubChem CID 166634575) has the molecular formula C20H13NO2Se and a molecular weight of 378.29 g/mol. Its IUPAC name is 2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one
PubChem CID166634575
Molecular FormulaC20H13NO2Se
Molecular Weight378.29 g/mol
Exact Mass379.01
IUPAC Name2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one
SMILESO=C(c1ccccc1)c1ccc(-n2[se]c3ccccc3c2=O)cc1
InChIInChI=1S/C20H13NO2Se/c22-19(14-6-2-1-3-7-14)15-10-12-16(13-11-15)21-20(23)17-8-4-5-9-18(17)24-21/h1-13H
InChIKeyILQQKGSMHYSBRH-UHFFFAOYSA-N
XLogP3.28
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one (CID 166634575) is 2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one is O=C(c1ccccc1)c1ccc(-n2[se]c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one?
The InChIKey is ILQQKGSMHYSBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2Se/c22-19(14-6-2-1-3-7-14)15-10-12-16(13-11-15)21-20(23)17-8-4-5-9-18(17)24-21/h1-13H.
What are the key properties of 2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one?
2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one has a molecular weight of 378.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 166634575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).