2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one

C18H17N3O2Se2 — CID 11016074

IUPAC2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1CCNCCn1[se]c2ccccc2c1=O
InChIInChI=1S/C18H17N3O2Se2/c22-17-13-5-1-3-7-15(13)24-20(17)11-9-19-10-12-21-18(23)14-6-2-4-8-16(14)25-21/h1-8,19H,9-12H2
InChIKeyRGMRTQRWRXBARJ-UHFFFAOYSA-N
MW465.27 g/mol
LogP0.72
Rot. Bonds6

About 2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one

2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one (PubChem CID 11016074) has the molecular formula C18H17N3O2Se2 and a molecular weight of 465.27 g/mol. Its IUPAC name is 2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one
PubChem CID11016074
Molecular FormulaC18H17N3O2Se2
Molecular Weight465.27 g/mol
Exact Mass466.97
IUPAC Name2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1CCNCCn1[se]c2ccccc2c1=O
InChIInChI=1S/C18H17N3O2Se2/c22-17-13-5-1-3-7-15(13)24-20(17)11-9-19-10-12-21-18(23)14-6-2-4-8-16(14)25-21/h1-8,19H,9-12H2
InChIKeyRGMRTQRWRXBARJ-UHFFFAOYSA-N
XLogP0.72
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-phenylbutyl)benzamide
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CID 46911402

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one?
The IUPAC name of 2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one (CID 11016074) is 2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1CCNCCn1[se]c2ccccc2c1=O.
What is the InChIKey of 2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one?
The InChIKey is RGMRTQRWRXBARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2Se2/c22-17-13-5-1-3-7-15(13)24-20(17)11-9-19-10-12-21-18(23)14-6-2-4-8-16(14)25-21/h1-8,19H,9-12H2.
What are the key properties of 2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one?
2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one has a molecular weight of 465.27 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one is sourced from PubChem (CID 11016074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).