2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine

C14H13F3N2 — CID 91446839

IUPAC2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine
SMILESFC(F)(F)C1=CCC2N=C(c3ccccc3)CN2C1
InChIInChI=1S/C14H13F3N2/c15-14(16,17)11-6-7-13-18-12(9-19(13)8-11)10-4-2-1-3-5-10/h1-6,13H,7-9H2
InChIKeyFHOWIASNHYAJIW-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.01
Rot. Bonds1

About 2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine

2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 91446839) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine
PubChem CID91446839
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine
SMILESFC(F)(F)C1=CCC2N=C(c3ccccc3)CN2C1
InChIInChI=1S/C14H13F3N2/c15-14(16,17)11-6-7-13-18-12(9-19(13)8-11)10-4-2-1-3-5-10/h1-6,13H,7-9H2
InChIKeyFHOWIASNHYAJIW-UHFFFAOYSA-N
XLogP3.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole
CID 138964698
3-Benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole
CID 138964699
4-Phenyl-3-imidazoline
CID 56621221
4-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazole
CID 57077686
1-[2-[[2-(Trifluoromethyl)phenyl]methyl]pyrrol-2-yl]piperidine
CID 57091089
4-(2-fluorophenyl)-2,5-dihydro-1H-imidazole
CID 57274818
N-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine
CID 67230954
N-[2-(4-fluorophenyl)-2-iminoethyl]-N-prop-2-enylprop-2-en-1-amine
CID 89834480
3-Ethyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydroimidazole
CID 123589450
7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine
CID 141376857
5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine
CID 141415561
7-fluoro-7-methyl-2-phenyl-3H-imidazo[1,2-a]pyridine
CID 150646082

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine (CID 91446839) is 2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine is FC(F)(F)C1=CCC2N=C(c3ccccc3)CN2C1.
What is the InChIKey of 2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is FHOWIASNHYAJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c15-14(16,17)11-6-7-13-18-12(9-19(13)8-11)10-4-2-1-3-5-10/h1-6,13H,7-9H2.
What are the key properties of 2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine?
2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 266.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 91446839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).