4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole

C10H5Br2F3N2O — CID 67133238

IUPAC4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole
SMILESFC(F)(F)Oc1cccc(-c2nc(Br)c(Br)[nH]2)c1
InChIInChI=1S/C10H5Br2F3N2O/c11-7-8(12)17-9(16-7)5-2-1-3-6(4-5)18-10(13,14)15/h1-4H,(H,16,17)
InChIKeyKPTXRFVBWHYUFI-UHFFFAOYSA-N
MW385.97 g/mol
LogP4.50
Rot. Bonds2

About 4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole

4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole (PubChem CID 67133238) has the molecular formula C10H5Br2F3N2O and a molecular weight of 385.97 g/mol. Its IUPAC name is 4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole.

Molecular Properties

Compound Name4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole
PubChem CID67133238
Molecular FormulaC10H5Br2F3N2O
Molecular Weight385.97 g/mol
Exact Mass383.87
IUPAC Name4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole
SMILESFC(F)(F)Oc1cccc(-c2nc(Br)c(Br)[nH]2)c1
InChIInChI=1S/C10H5Br2F3N2O/c11-7-8(12)17-9(16-7)5-2-1-3-6(4-5)18-10(13,14)15/h1-4H,(H,16,17)
InChIKeyKPTXRFVBWHYUFI-UHFFFAOYSA-N
XLogP4.50
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.97
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 136860130
2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine
CID 166176460
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 155293542
4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 90750927
methyl 2-[3-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate
CID 107105199
2,5-dimethyl-6-[3-(trifluoromethoxy)phenyl]-1H-pyrimidine-4-thione
CID 106517635
3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134622968
3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole
CID 139927242

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole?
The IUPAC name of 4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole (CID 67133238) is 4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole.
What is the SMILES notation for 4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole?
The canonical SMILES for 4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole is FC(F)(F)Oc1cccc(-c2nc(Br)c(Br)[nH]2)c1.
What is the InChIKey of 4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole?
The InChIKey is KPTXRFVBWHYUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2F3N2O/c11-7-8(12)17-9(16-7)5-2-1-3-6(4-5)18-10(13,14)15/h1-4H,(H,16,17).
What are the key properties of 4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole?
4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole has a molecular weight of 385.97 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole is sourced from PubChem (CID 67133238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).