4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole

C12H8BrF5N2O — CID 20551860

IUPAC4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole
SMILESCCOc1cc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(F)cc1F
InChIInChI=1S/C12H8BrF5N2O/c1-2-21-8-3-5(6(14)4-7(8)15)11-19-9(10(13)20-11)12(16,17)18/h3-4H,2H2,1H3,(H,19,20)
InChIKeyZKSQLQYLJRQWIY-UHFFFAOYSA-N
MW371.10 g/mol
LogP4.53
Rot. Bonds3

About 4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole

4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 20551860) has the molecular formula C12H8BrF5N2O and a molecular weight of 371.10 g/mol. Its IUPAC name is 4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID20551860
Molecular FormulaC12H8BrF5N2O
Molecular Weight371.10 g/mol
Exact Mass369.97
IUPAC Name4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole
SMILESCCOc1cc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(F)cc1F
InChIInChI=1S/C12H8BrF5N2O/c1-2-21-8-3-5(6(14)4-7(8)15)11-19-9(10(13)20-11)12(16,17)18/h3-4H,2H2,1H3,(H,19,20)
InChIKeyZKSQLQYLJRQWIY-UHFFFAOYSA-N
XLogP4.53
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.10
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole (CID 20551860) is 4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole is CCOc1cc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(F)cc1F.
What is the InChIKey of 4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is ZKSQLQYLJRQWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF5N2O/c1-2-21-8-3-5(6(14)4-7(8)15)11-19-9(10(13)20-11)12(16,17)18/h3-4H,2H2,1H3,(H,19,20).
What are the key properties of 4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole?
4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 371.10 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 20551860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).