5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole

C17H12F3NSe — CID 175493043

IUPAC5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole
SMILESCc1ccc(-c2[se]nc(-c3ccccc3)c2C(F)(F)F)cc1
InChIInChI=1S/C17H12F3NSe/c1-11-7-9-13(10-8-11)16-14(17(18,19)20)15(21-22-16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyYTSLOSGXLRZVGW-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.80
Rot. Bonds2

About 5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole

5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole (PubChem CID 175493043) has the molecular formula C17H12F3NSe and a molecular weight of 366.24 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole
PubChem CID175493043
Molecular FormulaC17H12F3NSe
Molecular Weight366.24 g/mol
Exact Mass367.01
IUPAC Name5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole
SMILESCc1ccc(-c2[se]nc(-c3ccccc3)c2C(F)(F)F)cc1
InChIInChI=1S/C17H12F3NSe/c1-11-7-9-13(10-8-11)16-14(17(18,19)20)15(21-22-16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyYTSLOSGXLRZVGW-UHFFFAOYSA-N
XLogP4.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole?
The IUPAC name of 5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole (CID 175493043) is 5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole?
The canonical SMILES for 5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole is Cc1ccc(-c2[se]nc(-c3ccccc3)c2C(F)(F)F)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole?
The InChIKey is YTSLOSGXLRZVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NSe/c1-11-7-9-13(10-8-11)16-14(17(18,19)20)15(21-22-16)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole?
5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole has a molecular weight of 366.24 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole is sourced from PubChem (CID 175493043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).