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

C12H19F3N2 — CID 169322169

IUPAC2-tert-butyl-1-methyl-4-propan-2-yl-5-(trifluoromethyl)imidazole
SMILESCC(C)c1nc(C(C)(C)C)n(C)c1C(F)(F)F
InChIInChI=1S/C12H19F3N2/c1-7(2)8-9(12(13,14)15)17(6)10(16-8)11(3,4)5/h7H,1-6H3
InChIKeyYGZXIDGGUDPLNP-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.86
Rot. Bonds1

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

2-tert-butyl-1-methyl-4-propan-2-yl-5-(trifluoromethyl)imidazole (PubChem CID 169322169) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-4-propan-2-yl-5-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-4-propan-2-yl-5-(trifluoromethyl)imidazole
PubChem CID169322169
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name2-tert-butyl-1-methyl-4-propan-2-yl-5-(trifluoromethyl)imidazole
SMILESCC(C)c1nc(C(C)(C)C)n(C)c1C(F)(F)F
InChIInChI=1S/C12H19F3N2/c1-7(2)8-9(12(13,14)15)17(6)10(16-8)11(3,4)5/h7H,1-6H3
InChIKeyYGZXIDGGUDPLNP-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-4-propan-2-yl-5-(trifluoromethyl)imidazole?
The IUPAC name of 2-tert-butyl-1-methyl-4-propan-2-yl-5-(trifluoromethyl)imidazole (CID 169322169) is 2-tert-butyl-1-methyl-4-propan-2-yl-5-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-tert-butyl-1-methyl-4-propan-2-yl-5-(trifluoromethyl)imidazole?
The canonical SMILES for 2-tert-butyl-1-methyl-4-propan-2-yl-5-(trifluoromethyl)imidazole is CC(C)c1nc(C(C)(C)C)n(C)c1C(F)(F)F.
What is the InChIKey of 2-tert-butyl-1-methyl-4-propan-2-yl-5-(trifluoromethyl)imidazole?
The InChIKey is YGZXIDGGUDPLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2/c1-7(2)8-9(12(13,14)15)17(6)10(16-8)11(3,4)5/h7H,1-6H3.
What are the key properties of 2-tert-butyl-1-methyl-4-propan-2-yl-5-(trifluoromethyl)imidazole?
2-tert-butyl-1-methyl-4-propan-2-yl-5-(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-4-propan-2-yl-5-(trifluoromethyl)imidazole is sourced from PubChem (CID 169322169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).