2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole

C14H23F3N2 — CID 169322187

IUPAC2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole
SMILESCC(C)c1c(C(F)(F)F)nc(C(C)(C)C)n1C(C)C
InChIInChI=1S/C14H23F3N2/c1-8(2)10-11(14(15,16)17)18-12(13(5,6)7)19(10)9(3)4/h8-9H,1-7H3
InChIKeyYYVYEIFKGDKFAZ-UHFFFAOYSA-N
MW276.35 g/mol
LogP4.90
Rot. Bonds2

About 2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole

2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole (PubChem CID 169322187) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole
PubChem CID169322187
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole
SMILESCC(C)c1c(C(F)(F)F)nc(C(C)(C)C)n1C(C)C
InChIInChI=1S/C14H23F3N2/c1-8(2)10-11(14(15,16)17)18-12(13(5,6)7)19(10)9(3)4/h8-9H,1-7H3
InChIKeyYYVYEIFKGDKFAZ-UHFFFAOYSA-N
XLogP4.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-Butyl-4-(propan-2-yl)-5-(trifluoromethyl)-1H-imidazole
CID 14735431
1-Methyl-5-(5-methylhexyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
CID 22891093
4-Fluoro-1-methyl-2-(5-methylhexyl)-5-propan-2-ylimidazole
CID 22891110
5-Ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole
CID 59746130
CID 89035427
CID 89035427
1-(2-Fluoroethyl)-4,5-di(propan-2-yl)imidazole
CID 117879864
5-Ethyl-1-methyl-4-(trifluoromethyl)imidazole
CID 117972839
7-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 132222945
1,7-di(propan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 132225829
7-ethyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 138640808
1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 138649494
Ethane;3-ethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 142538356

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole (CID 169322187) is 2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole is CC(C)c1c(C(F)(F)F)nc(C(C)(C)C)n1C(C)C.
What is the InChIKey of 2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole?
The InChIKey is YYVYEIFKGDKFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-8(2)10-11(14(15,16)17)18-12(13(5,6)7)19(10)9(3)4/h8-9H,1-7H3.
What are the key properties of 2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole?
2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole has a molecular weight of 276.35 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,5-di(propan-2-yl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 169322187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).