2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole

C10H15F3N2 — CID 169322166

IUPAC2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole
SMILESCc1nc(C(C)(C)C)n(C)c1C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-6-7(10(11,12)13)15(5)8(14-6)9(2,3)4/h1-5H3
InChIKeyPXBNQIOJQSMARL-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.04
Rot. Bonds

About 2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole

2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole (PubChem CID 169322166) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole
PubChem CID169322166
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole
SMILESCc1nc(C(C)(C)C)n(C)c1C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-6-7(10(11,12)13)15(5)8(14-6)9(2,3)4/h1-5H3
InChIKeyPXBNQIOJQSMARL-UHFFFAOYSA-N
XLogP3.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole?
The IUPAC name of 2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole (CID 169322166) is 2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole?
The canonical SMILES for 2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole is Cc1nc(C(C)(C)C)n(C)c1C(F)(F)F.
What is the InChIKey of 2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole?
The InChIKey is PXBNQIOJQSMARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-6-7(10(11,12)13)15(5)8(14-6)9(2,3)4/h1-5H3.
What are the key properties of 2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole?
2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole has a molecular weight of 220.24 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,4-dimethyl-5-(trifluoromethyl)imidazole is sourced from PubChem (CID 169322166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).