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

C12H19F3N2 — CID 169322212

IUPAC2-tert-butyl-1-methyl-5-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCC(C)c1c(C(F)(F)F)nc(C(C)(C)C)n1C
InChIInChI=1S/C12H19F3N2/c1-7(2)8-9(12(13,14)15)16-10(17(8)6)11(3,4)5/h7H,1-6H3
InChIKeyOGWYWEWWDYBFGC-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.86
Rot. Bonds1

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

2-tert-butyl-1-methyl-5-propan-2-yl-4-(trifluoromethyl)imidazole (PubChem CID 169322212) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-5-propan-2-yl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-5-propan-2-yl-4-(trifluoromethyl)imidazole
PubChem CID169322212
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name2-tert-butyl-1-methyl-5-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCC(C)c1c(C(F)(F)F)nc(C(C)(C)C)n1C
InChIInChI=1S/C12H19F3N2/c1-7(2)8-9(12(13,14)15)16-10(17(8)6)11(3,4)5/h7H,1-6H3
InChIKeyOGWYWEWWDYBFGC-UHFFFAOYSA-N
XLogP3.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-5-propan-2-yl-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-tert-butyl-1-methyl-5-propan-2-yl-4-(trifluoromethyl)imidazole (CID 169322212) is 2-tert-butyl-1-methyl-5-propan-2-yl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-tert-butyl-1-methyl-5-propan-2-yl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-tert-butyl-1-methyl-5-propan-2-yl-4-(trifluoromethyl)imidazole is CC(C)c1c(C(F)(F)F)nc(C(C)(C)C)n1C.
What is the InChIKey of 2-tert-butyl-1-methyl-5-propan-2-yl-4-(trifluoromethyl)imidazole?
The InChIKey is OGWYWEWWDYBFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2/c1-7(2)8-9(12(13,14)15)16-10(17(8)6)11(3,4)5/h7H,1-6H3.
What are the key properties of 2-tert-butyl-1-methyl-5-propan-2-yl-4-(trifluoromethyl)imidazole?
2-tert-butyl-1-methyl-5-propan-2-yl-4-(trifluoromethyl)imidazole has a molecular weight of 248.29 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-5-propan-2-yl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 169322212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).