5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole

C10H14BrF3N2 — CID 156675346

IUPAC5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole
SMILESCCn1c(C(C)(C)C)nc(C(F)(F)F)c1Br
InChIInChI=1S/C10H14BrF3N2/c1-5-16-7(11)6(10(12,13)14)15-8(16)9(2,3)4/h5H2,1-4H3
InChIKeyFMNSYFCJBSPILE-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.98
Rot. Bonds1

About 5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole

5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole (PubChem CID 156675346) has the molecular formula C10H14BrF3N2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole
PubChem CID156675346
Molecular FormulaC10H14BrF3N2
Molecular Weight299.13 g/mol
Exact Mass298.03
IUPAC Name5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole
SMILESCCn1c(C(C)(C)C)nc(C(F)(F)F)c1Br
InChIInChI=1S/C10H14BrF3N2/c1-5-16-7(11)6(10(12,13)14)15-8(16)9(2,3)4/h5H2,1-4H3
InChIKeyFMNSYFCJBSPILE-UHFFFAOYSA-N
XLogP3.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole (CID 156675346) is 5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole is CCn1c(C(C)(C)C)nc(C(F)(F)F)c1Br.
What is the InChIKey of 5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole?
The InChIKey is FMNSYFCJBSPILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrF3N2/c1-5-16-7(11)6(10(12,13)14)15-8(16)9(2,3)4/h5H2,1-4H3.
What are the key properties of 5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole?
5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole has a molecular weight of 299.13 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-tert-butyl-1-ethyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 156675346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).