1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole

C10H15F3N2 — CID 14735430

IUPAC1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole
SMILESCCc1ncn(C(C)(C)C)c1C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-5-7-8(10(11,12)13)15(6-14-7)9(2,3)4/h6H,5H2,1-4H3
InChIKeyOGRQWFRXZIUNJN-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.22
Rot. Bonds1

About 1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole

1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole (PubChem CID 14735430) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole
PubChem CID14735430
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole
SMILESCCc1ncn(C(C)(C)C)c1C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-5-7-8(10(11,12)13)15(6-14-7)9(2,3)4/h6H,5H2,1-4H3
InChIKeyOGRQWFRXZIUNJN-UHFFFAOYSA-N
XLogP3.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole?
The IUPAC name of 1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole (CID 14735430) is 1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole?
The canonical SMILES for 1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole is CCc1ncn(C(C)(C)C)c1C(F)(F)F.
What is the InChIKey of 1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole?
The InChIKey is OGRQWFRXZIUNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-5-7-8(10(11,12)13)15(6-14-7)9(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole?
1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole has a molecular weight of 220.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethyl-5-(trifluoromethyl)imidazole is sourced from PubChem (CID 14735430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).