3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine

C21H15F3N2 — CID 122379882

IUPAC3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
SMILESCc1cccc(-c2ccc(C(F)(F)F)cc2-c2ncc3ccccn23)c1
InChIInChI=1S/C21H15F3N2/c1-14-5-4-6-15(11-14)18-9-8-16(21(22,23)24)12-19(18)20-25-13-17-7-2-3-10-26(17)20/h2-13H,1H3
InChIKeyICNNXPUOTUJFQE-UHFFFAOYSA-N
MW352.36 g/mol
LogP6.00
Rot. Bonds2

About 3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine

3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine (PubChem CID 122379882) has the molecular formula C21H15F3N2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
PubChem CID122379882
Molecular FormulaC21H15F3N2
Molecular Weight352.36 g/mol
Exact Mass352.12
IUPAC Name3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
SMILESCc1cccc(-c2ccc(C(F)(F)F)cc2-c2ncc3ccccn23)c1
InChIInChI=1S/C21H15F3N2/c1-14-5-4-6-15(11-14)18-9-8-16(21(22,23)24)12-19(18)20-25-13-17-7-2-3-10-26(17)20/h2-13H,1H3
InChIKeyICNNXPUOTUJFQE-UHFFFAOYSA-N
XLogP6.00
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-phenyl-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 122379881
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
1-[4-[3-(4-acetylphenyl)-2-imidazo[1,5-a]pyridin-3-yl-5-(trifluoromethyl)phenyl]phenyl]ethanone
CID 162539266
1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 170835758
3-(3,4-difluorophenyl)imidazo[1,5-a]pyridine
CID 116836498
1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene
CID 145208022
2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649099
5-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine
CID 117142163
2-methyl-7-(trifluoromethyl)tetraphenylene
CID 162399376
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
5-methyl-3-(3-methylphenyl)imidazo[1,5-a]pyridine
CID 117142160
6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine
CID 160557057

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine (CID 122379882) is 3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine is Cc1cccc(-c2ccc(C(F)(F)F)cc2-c2ncc3ccccn23)c1.
What is the InChIKey of 3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine?
The InChIKey is ICNNXPUOTUJFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2/c1-14-5-4-6-15(11-14)18-9-8-16(21(22,23)24)12-19(18)20-25-13-17-7-2-3-10-26(17)20/h2-13H,1H3.
What are the key properties of 3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine?
3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine has a molecular weight of 352.36 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 122379882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).