1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene

C27H33F3N2 — CID 145208022

IUPAC1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene
SMILESCC.CC.Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1.Cc1nc(C)n2ccccc12
InChIInChI=1S/C14H11F3.C9H10N2.2C2H6/c1-10-3-2-4-12(9-10)11-5-7-13(8-6-11)14(15,16)17;1-7-9-5-3-4-6-11(9)8(2)10-7;2*1-2/h2-9H,1H3;3-6H,1-2H3;2*1-2H3
InChIKeyREGIOCAEEYBKAQ-UHFFFAOYSA-N
MW442.57 g/mol
LogP8.68
Rot. Bonds1

About 1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene

1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 145208022) has the molecular formula C27H33F3N2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene
PubChem CID145208022
Molecular FormulaC27H33F3N2
Molecular Weight442.57 g/mol
Exact Mass442.26
IUPAC Name1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene
SMILESCC.CC.Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1.Cc1nc(C)n2ccccc12
InChIInChI=1S/C14H11F3.C9H10N2.2C2H6/c1-10-3-2-4-12(9-10)11-5-7-13(8-6-11)14(15,16)17;1-7-9-5-3-4-6-11(9)8(2)10-7;2*1-2/h2-9H,1H3;3-6H,1-2H3;2*1-2H3
InChIKeyREGIOCAEEYBKAQ-UHFFFAOYSA-N
XLogP8.68
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.57
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 161470259
3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine
CID 139262365
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
ethane;1-methyl-3-phenylbenzene
CID 142040878
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 160846045
2-methyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 162565704
3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 122379882
3-bromo-1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 172515069
3-(3-methylphenyl)-1-pyridin-2-ylimidazo[1,5-a]pyridine
CID 11737712

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene (CID 145208022) is 1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene is CC.CC.Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1.Cc1nc(C)n2ccccc12.
What is the InChIKey of 1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is REGIOCAEEYBKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3.C9H10N2.2C2H6/c1-10-3-2-4-12(9-10)11-5-7-13(8-6-11)14(15,16)17;1-7-9-5-3-4-6-11(9)8(2)10-7;2*1-2/h2-9H,1H3;3-6H,1-2H3;2*1-2H3.
What are the key properties of 1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene?
1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 442.57 g/mol, XLogP of 8.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazo[1,5-a]pyridine;ethane;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 145208022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).