CID 11618465

C21H21N2O2Se — CID 11618465

IUPAC—
SMILESCC1(C)C=C(c2cccc(-n3[se]c4ccccc4c3=O)c2)C(C)(C)N1[O]
InChIInChI=1S/C21H21N2O2Se/c1-20(2)13-17(21(3,4)23(20)25)14-8-7-9-15(12-14)22-19(24)16-10-5-6-11-18(16)26-22/h5-13H,1-4H3
InChIKeyKWKAZYGDLRZMQK-UHFFFAOYSA-N
MW412.37 g/mol
LogP3.65
Rot. Bonds2

About CID 11618465

CID 11618465 (PubChem CID 11618465) has the molecular formula C21H21N2O2Se and a molecular weight of 412.37 g/mol.

Molecular Properties

Compound NameCID 11618465
PubChem CID11618465
Molecular FormulaC21H21N2O2Se
Molecular Weight412.37 g/mol
Exact Mass413.08
IUPAC Name—
SMILESCC1(C)C=C(c2cccc(-n3[se]c4ccccc4c3=O)c2)C(C)(C)N1[O]
InChIInChI=1S/C21H21N2O2Se/c1-20(2)13-17(21(3,4)23(20)25)14-8-7-9-15(12-14)22-19(24)16-10-5-6-11-18(16)26-22/h5-13H,1-4H3
InChIKeyKWKAZYGDLRZMQK-UHFFFAOYSA-N
XLogP3.65
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-1,2-benzoselenazol-3-one
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2-[3-(aminomethyl)phenyl]-1,2-benzoselenazol-3-one
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2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one
CID 88621180
2-[4-[[4-(3-oxo-1,2-benzoselenazol-2-yl)phenyl]diselanyl]phenyl]-1,2-benzoselenazol-3-one
CID 118736430
2-(2,5-dimethylphenyl)-1,2-benzoselenazol-3-one
CID 25181203
2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one
CID 166634575
2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one
CID 13277178
2-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one
CID 166630257
2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one
CID 166631306
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
2-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)-1,2-benzoselenazol-3-one
CID 127025849
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylisoquinolin-1-one
CID 155699328

Frequently Asked Questions

What is the IUPAC name of CID 11618465?
The IUPAC name of CID 11618465 (CID 11618465) is not available.
What is the SMILES notation for CID 11618465?
The canonical SMILES for CID 11618465 is CC1(C)C=C(c2cccc(-n3[se]c4ccccc4c3=O)c2)C(C)(C)N1[O].
What is the InChIKey of CID 11618465?
The InChIKey is KWKAZYGDLRZMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N2O2Se/c1-20(2)13-17(21(3,4)23(20)25)14-8-7-9-15(12-14)22-19(24)16-10-5-6-11-18(16)26-22/h5-13H,1-4H3.
What are the key properties of CID 11618465?
CID 11618465 has a molecular weight of 412.37 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11618465 is sourced from PubChem (CID 11618465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).