1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine

C22H20F3N3O2S — CID 10182190

IUPAC1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)CC2)cc1
InChIInChI=1S/C22H20F3N3O2S/c1-15-5-7-19(8-6-15)31(29,30)28-11-9-16(10-12-28)21-26-14-20(27-21)17-3-2-4-18(13-17)22(23,24)25/h2-9,13-14H,10-12H2,1H3,(H,26,27)
InChIKeyRPGLCTFLIAVNJS-UHFFFAOYSA-N
MW447.48 g/mol
LogP4.88
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine

1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine (PubChem CID 10182190) has the molecular formula C22H20F3N3O2S and a molecular weight of 447.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine
PubChem CID10182190
Molecular FormulaC22H20F3N3O2S
Molecular Weight447.48 g/mol
Exact Mass447.12
IUPAC Name1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)CC2)cc1
InChIInChI=1S/C22H20F3N3O2S/c1-15-5-7-19(8-6-15)31(29,30)28-11-9-16(10-12-28)21-26-14-20(27-21)17-3-2-4-18(13-17)22(23,24)25/h2-9,13-14H,10-12H2,1H3,(H,26,27)
InChIKeyRPGLCTFLIAVNJS-UHFFFAOYSA-N
XLogP4.88
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine
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2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine (CID 10182190) is 1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine is Cc1ccc(S(=O)(=O)N2CC=C(c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine?
The InChIKey is RPGLCTFLIAVNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2S/c1-15-5-7-19(8-6-15)31(29,30)28-11-9-16(10-12-28)21-26-14-20(27-21)17-3-2-4-18(13-17)22(23,24)25/h2-9,13-14H,10-12H2,1H3,(H,26,27).
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine?
1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine has a molecular weight of 447.48 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10182190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).