4,5-bis(4-chlorophenyl)-1,2-selenazole

C15H9Cl2NSe — CID 24884694

IUPAC4,5-bis(4-chlorophenyl)-1,2-selenazole
SMILESClc1ccc(-c2cn[se]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H9Cl2NSe/c16-12-5-1-10(2-6-12)14-9-18-19-15(14)11-3-7-13(17)8-4-11/h1-9H
InChIKeyQKBSSPQBZVKIAU-UHFFFAOYSA-N
MW353.11 g/mol
LogP4.78
Rot. Bonds2

About 4,5-bis(4-chlorophenyl)-1,2-selenazole

4,5-bis(4-chlorophenyl)-1,2-selenazole (PubChem CID 24884694) has the molecular formula C15H9Cl2NSe and a molecular weight of 353.11 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-1,2-selenazole.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-1,2-selenazole
PubChem CID24884694
Molecular FormulaC15H9Cl2NSe
Molecular Weight353.11 g/mol
Exact Mass352.93
IUPAC Name4,5-bis(4-chlorophenyl)-1,2-selenazole
SMILESClc1ccc(-c2cn[se]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H9Cl2NSe/c16-12-5-1-10(2-6-12)14-9-18-19-15(14)11-3-7-13(17)8-4-11/h1-9H
InChIKeyQKBSSPQBZVKIAU-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.11
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,5-bis(4-chlorophenyl)-1,2-selenazole?
The IUPAC name of 4,5-bis(4-chlorophenyl)-1,2-selenazole (CID 24884694) is 4,5-bis(4-chlorophenyl)-1,2-selenazole.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-1,2-selenazole?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-1,2-selenazole is Clc1ccc(-c2cn[se]c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-1,2-selenazole?
The InChIKey is QKBSSPQBZVKIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NSe/c16-12-5-1-10(2-6-12)14-9-18-19-15(14)11-3-7-13(17)8-4-11/h1-9H.
What are the key properties of 4,5-bis(4-chlorophenyl)-1,2-selenazole?
4,5-bis(4-chlorophenyl)-1,2-selenazole has a molecular weight of 353.11 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-1,2-selenazole is sourced from PubChem (CID 24884694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).