6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine

C12H15F3N2 — CID 91009614

IUPAC6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine
SMILESCC1=Cn2c(C(F)(F)F)cnc2CC(C)C1C
InChIInChI=1S/C12H15F3N2/c1-7-4-11-16-5-10(12(13,14)15)17(11)6-8(2)9(7)3/h5-7,9H,4H2,1-3H3
InChIKeyXTJRANCLDCBPEW-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.59
Rot. Bonds

About 6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine

6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine (PubChem CID 91009614) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine.

Molecular Properties

Compound Name6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine
PubChem CID91009614
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine
SMILESCC1=Cn2c(C(F)(F)F)cnc2CC(C)C1C
InChIInChI=1S/C12H15F3N2/c1-7-4-11-16-5-10(12(13,14)15)17(11)6-8(2)9(7)3/h5-7,9H,4H2,1-3H3
InChIKeyXTJRANCLDCBPEW-UHFFFAOYSA-N
XLogP3.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-Methylhexyl)-4-propan-2-yl-2-(trifluoromethyl)imidazole
CID 22891118
4-Propyl-1-(3,3,3-trifluoropropyl)imidazole
CID 57872136
1-(2-Fluoropropyl)-4-propan-2-ylimidazole
CID 58213380
5-Ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole
CID 59746127
4-Propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole
CID 68029803
1-(2,2-Difluoroethyl)-4-propan-2-ylimidazole
CID 68164707
1,2-Dimethyl-5-(2,2,2-trifluoroethyl)imidazole
CID 69174145
5-Ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole
CID 87551398
2-Cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
CID 90162058
2-Cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole
CID 90167813
2-Cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole
CID 90167964
1-Methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 118303240

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine?
The IUPAC name of 6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine (CID 91009614) is 6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine.
What is the SMILES notation for 6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine?
The canonical SMILES for 6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine is CC1=Cn2c(C(F)(F)F)cnc2CC(C)C1C.
What is the InChIKey of 6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine?
The InChIKey is XTJRANCLDCBPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-7-4-11-16-5-10(12(13,14)15)17(11)6-8(2)9(7)3/h5-7,9H,4H2,1-3H3.
What are the key properties of 6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine?
6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine has a molecular weight of 244.26 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethyl-3-(trifluoromethyl)-8,9-dihydro-7H-imidazo[1,2-a]azepine is sourced from PubChem (CID 91009614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).