4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole

C10H3BrCl3F3N2 — CID 20551848

IUPAC4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1[nH]c(-c2c(Cl)cc(Cl)cc2Cl)nc1Br
InChIInChI=1S/C10H3BrCl3F3N2/c11-8-7(10(15,16)17)18-9(19-8)6-4(13)1-3(12)2-5(6)14/h1-2H,(H,18,19)
InChIKeyAVHSDSVVVYQYPB-UHFFFAOYSA-N
MW394.41 g/mol
LogP5.82
Rot. Bonds1

About 4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole

4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 20551848) has the molecular formula C10H3BrCl3F3N2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID20551848
Molecular FormulaC10H3BrCl3F3N2
Molecular Weight394.41 g/mol
Exact Mass391.85
IUPAC Name4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1[nH]c(-c2c(Cl)cc(Cl)cc2Cl)nc1Br
InChIInChI=1S/C10H3BrCl3F3N2/c11-8-7(10(15,16)17)18-9(19-8)6-4(13)1-3(12)2-5(6)14/h1-2H,(H,18,19)
InChIKeyAVHSDSVVVYQYPB-UHFFFAOYSA-N
XLogP5.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.41
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole (CID 20551848) is 4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole is FC(F)(F)c1[nH]c(-c2c(Cl)cc(Cl)cc2Cl)nc1Br.
What is the InChIKey of 4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is AVHSDSVVVYQYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrCl3F3N2/c11-8-7(10(15,16)17)18-9(19-8)6-4(13)1-3(12)2-5(6)14/h1-2H,(H,18,19).
What are the key properties of 4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole?
4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 394.41 g/mol, XLogP of 5.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 20551848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).