2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine

C22H16F3N3 — CID 54335066

IUPAC2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2cccnc2Cc2ncc[nH]2)c1-c1ccccc1
InChIInChI=1S/C22H16F3N3/c23-22(24,25)18-10-4-8-17(21(18)15-6-2-1-3-7-15)16-9-5-11-26-19(16)14-20-27-12-13-28-20/h1-13H,14H2,(H,27,28)
InChIKeyTUWVCTAPTOLITH-UHFFFAOYSA-N
MW379.39 g/mol
LogP5.75
Rot. Bonds4

About 2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine

2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine (PubChem CID 54335066) has the molecular formula C22H16F3N3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine
PubChem CID54335066
Molecular FormulaC22H16F3N3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2cccnc2Cc2ncc[nH]2)c1-c1ccccc1
InChIInChI=1S/C22H16F3N3/c23-22(24,25)18-10-4-8-17(21(18)15-6-2-1-3-7-15)16-9-5-11-26-19(16)14-20-27-12-13-28-20/h1-13H,14H2,(H,27,28)
InChIKeyTUWVCTAPTOLITH-UHFFFAOYSA-N
XLogP5.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.39
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine (CID 54335066) is 2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cccc(-c2cccnc2Cc2ncc[nH]2)c1-c1ccccc1.
What is the InChIKey of 2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is TUWVCTAPTOLITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3/c23-22(24,25)18-10-4-8-17(21(18)15-6-2-1-3-7-15)16-9-5-11-26-19(16)14-20-27-12-13-28-20/h1-13H,14H2,(H,27,28).
What are the key properties of 2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine?
2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 379.39 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 54335066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).