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

C17H16F3N3O2S — CID 59088223

IUPAC2-methyl-4-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine
SMILESCc1cc(C2=NC(C(F)(F)F)(S(C)(=O)=O)CN2c2ccccc2)ccn1
InChIInChI=1S/C17H16F3N3O2S/c1-12-10-13(8-9-21-12)15-22-16(17(18,19)20,26(2,24)25)11-23(15)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyMJVRITUPNIDICQ-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.96
Rot. Bonds3

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

2-methyl-4-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine (PubChem CID 59088223) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-methyl-4-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine
PubChem CID59088223
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC Name2-methyl-4-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine
SMILESCc1cc(C2=NC(C(F)(F)F)(S(C)(=O)=O)CN2c2ccccc2)ccn1
InChIInChI=1S/C17H16F3N3O2S/c1-12-10-13(8-9-21-12)15-22-16(17(18,19)20,26(2,24)25)11-23(15)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyMJVRITUPNIDICQ-UHFFFAOYSA-N
XLogP2.96
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine?
The IUPAC name of 2-methyl-4-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine (CID 59088223) is 2-methyl-4-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine.
What is the SMILES notation for 2-methyl-4-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine?
The canonical SMILES for 2-methyl-4-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine is Cc1cc(C2=NC(C(F)(F)F)(S(C)(=O)=O)CN2c2ccccc2)ccn1.
What is the InChIKey of 2-methyl-4-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine?
The InChIKey is MJVRITUPNIDICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c1-12-10-13(8-9-21-12)15-22-16(17(18,19)20,26(2,24)25)11-23(15)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 2-methyl-4-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine?
2-methyl-4-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine has a molecular weight of 383.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine is sourced from PubChem (CID 59088223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).