2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine

C21H16F3N3O2S — CID 101217728

IUPAC2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine
SMILESO=S(=O)(N1C(c2ccccn2)=N[C@H](c2ccccc2)[C@@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H16F3N3O2S/c22-21(23,24)30(28,29)27-19(16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)26-20(27)17-13-7-8-14-25-17/h1-14,18-19H/t18-,19+/m1/s1
InChIKeyYKFOZBZVMSECCG-MOPGFXCFSA-N
MW431.44 g/mol
LogP4.48
Rot. Bonds4

About 2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine

2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine (PubChem CID 101217728) has the molecular formula C21H16F3N3O2S and a molecular weight of 431.44 g/mol. Its IUPAC name is 2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine
PubChem CID101217728
Molecular FormulaC21H16F3N3O2S
Molecular Weight431.44 g/mol
Exact Mass431.09
IUPAC Name2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine
SMILESO=S(=O)(N1C(c2ccccn2)=N[C@H](c2ccccc2)[C@@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H16F3N3O2S/c22-21(23,24)30(28,29)27-19(16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)26-20(27)17-13-7-8-14-25-17/h1-14,18-19H/t18-,19+/m1/s1
InChIKeyYKFOZBZVMSECCG-MOPGFXCFSA-N
XLogP4.48
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine?
The IUPAC name of 2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine (CID 101217728) is 2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine.
What is the SMILES notation for 2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine?
The canonical SMILES for 2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine is O=S(=O)(N1C(c2ccccn2)=N[C@H](c2ccccc2)[C@@H]1c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine?
The InChIKey is YKFOZBZVMSECCG-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H16F3N3O2S/c22-21(23,24)30(28,29)27-19(16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)26-20(27)17-13-7-8-14-25-17/h1-14,18-19H/t18-,19+/m1/s1.
What are the key properties of 2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine?
2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine has a molecular weight of 431.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5S)-4,5-diphenyl-1-(trifluoromethylsulfonyl)-4,5-dihydroimidazol-2-yl]pyridine is sourced from PubChem (CID 101217728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).