5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C16H17F3N2 — CID 117150331

IUPAC5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCc2cnc(Cc3ccc(C(F)(F)F)cc3)n21
InChIInChI=1S/C16H17F3N2/c1-11-3-2-4-14-10-20-15(21(11)14)9-12-5-7-13(8-6-12)16(17,18)19/h5-8,10-11H,2-4,9H2,1H3
InChIKeyWEYWNUIIUMBRKW-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.39
Rot. Bonds2

About 5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117150331) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117150331
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCc2cnc(Cc3ccc(C(F)(F)F)cc3)n21
InChIInChI=1S/C16H17F3N2/c1-11-3-2-4-14-10-20-15(21(11)14)9-12-5-7-13(8-6-12)16(17,18)19/h5-8,10-11H,2-4,9H2,1H3
InChIKeyWEYWNUIIUMBRKW-UHFFFAOYSA-N
XLogP4.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117150331) is 5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCCc2cnc(Cc3ccc(C(F)(F)F)cc3)n21.
What is the InChIKey of 5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is WEYWNUIIUMBRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-11-3-2-4-14-10-20-15(21(11)14)9-12-5-7-13(8-6-12)16(17,18)19/h5-8,10-11H,2-4,9H2,1H3.
What are the key properties of 5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 294.32 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117150331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).