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

C17H16F3N3O2S — CID 19963366

IUPAC3-[5-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine
SMILESCC1(C(F)(F)F)CN(c2ccc(S(C)(=O)=O)cc2)C(c2cccnc2)=N1
InChIInChI=1S/C17H16F3N3O2S/c1-16(17(18,19)20)11-23(15(22-16)12-4-3-9-21-10-12)13-5-7-14(8-6-13)26(2,24)25/h3-10H,11H2,1-2H3
InChIKeyZFBJBFYOQNBFOK-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.07
Rot. Bonds3

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

3-[5-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine (PubChem CID 19963366) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is 3-[5-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-[5-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine
PubChem CID19963366
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC Name3-[5-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine
SMILESCC1(C(F)(F)F)CN(c2ccc(S(C)(=O)=O)cc2)C(c2cccnc2)=N1
InChIInChI=1S/C17H16F3N3O2S/c1-16(17(18,19)20)11-23(15(22-16)12-4-3-9-21-10-12)13-5-7-14(8-6-13)26(2,24)25/h3-10H,11H2,1-2H3
InChIKeyZFBJBFYOQNBFOK-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine?
The IUPAC name of 3-[5-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine (CID 19963366) is 3-[5-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine.
What is the SMILES notation for 3-[5-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine?
The canonical SMILES for 3-[5-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine is CC1(C(F)(F)F)CN(c2ccc(S(C)(=O)=O)cc2)C(c2cccnc2)=N1.
What is the InChIKey of 3-[5-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine?
The InChIKey is ZFBJBFYOQNBFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c1-16(17(18,19)20)11-23(15(22-16)12-4-3-9-21-10-12)13-5-7-14(8-6-13)26(2,24)25/h3-10H,11H2,1-2H3.
What are the key properties of 3-[5-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine?
3-[5-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine has a molecular weight of 383.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-2-yl]pyridine is sourced from PubChem (CID 19963366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).