2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine

C17H16F3N3O2S — CID 59981674

IUPAC2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine
SMILESCc1ccc(C2=NC(C(F)(F)F)CN2c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C17H16F3N3O2S/c1-11-3-4-12(9-21-11)16-22-15(17(18,19)20)10-23(16)13-5-7-14(8-6-13)26(2,24)25/h3-9,15H,10H2,1-2H3
InChIKeyQNOUASYAQWVHDH-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.99
Rot. Bonds3

About 2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine

2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine (PubChem CID 59981674) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine
PubChem CID59981674
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC Name2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine
SMILESCc1ccc(C2=NC(C(F)(F)F)CN2c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C17H16F3N3O2S/c1-11-3-4-12(9-21-11)16-22-15(17(18,19)20)10-23(16)13-5-7-14(8-6-13)26(2,24)25/h3-9,15H,10H2,1-2H3
InChIKeyQNOUASYAQWVHDH-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine?
The IUPAC name of 2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine (CID 59981674) is 2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine.
What is the SMILES notation for 2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine?
The canonical SMILES for 2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine is Cc1ccc(C2=NC(C(F)(F)F)CN2c2ccc(S(C)(=O)=O)cc2)cn1.
What is the InChIKey of 2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine?
The InChIKey is QNOUASYAQWVHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c1-11-3-4-12(9-21-11)16-22-15(17(18,19)20)10-23(16)13-5-7-14(8-6-13)26(2,24)25/h3-9,15H,10H2,1-2H3.
What are the key properties of 2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine?
2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine has a molecular weight of 383.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]pyridine is sourced from PubChem (CID 59981674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).