2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine

C16H14F3N3O2S — CID 59106595

IUPAC2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine
SMILESCS(=O)(=O)C1(C(F)(F)F)CN(c2ccccc2)C(c2ccccn2)=N1
InChIInChI=1S/C16H14F3N3O2S/c1-25(23,24)15(16(17,18)19)11-22(12-7-3-2-4-8-12)14(21-15)13-9-5-6-10-20-13/h2-10H,11H2,1H3
InChIKeyPYLQVMCQWIJZRG-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.65
Rot. Bonds3

About 2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine

2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine (PubChem CID 59106595) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine
PubChem CID59106595
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Name2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine
SMILESCS(=O)(=O)C1(C(F)(F)F)CN(c2ccccc2)C(c2ccccn2)=N1
InChIInChI=1S/C16H14F3N3O2S/c1-25(23,24)15(16(17,18)19)11-22(12-7-3-2-4-8-12)14(21-15)13-9-5-6-10-20-13/h2-10H,11H2,1H3
InChIKeyPYLQVMCQWIJZRG-UHFFFAOYSA-N
XLogP2.65
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine?
The IUPAC name of 2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine (CID 59106595) is 2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine.
What is the SMILES notation for 2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine?
The canonical SMILES for 2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine is CS(=O)(=O)C1(C(F)(F)F)CN(c2ccccc2)C(c2ccccn2)=N1.
What is the InChIKey of 2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine?
The InChIKey is PYLQVMCQWIJZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c1-25(23,24)15(16(17,18)19)11-22(12-7-3-2-4-8-12)14(21-15)13-9-5-6-10-20-13/h2-10H,11H2,1H3.
What are the key properties of 2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine?
2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine has a molecular weight of 369.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine is sourced from PubChem (CID 59106595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).