4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole

C10H4Br2ClF3N2 — CID 20551911

IUPAC4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1[nH]c(-c2ccc(Br)cc2Cl)nc1Br
InChIInChI=1S/C10H4Br2ClF3N2/c11-4-1-2-5(6(13)3-4)9-17-7(8(12)18-9)10(14,15)16/h1-3H,(H,17,18)
InChIKeyVCUWAHNQBOXAQS-UHFFFAOYSA-N
MW404.41 g/mol
LogP5.27
Rot. Bonds1

About 4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole

4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 20551911) has the molecular formula C10H4Br2ClF3N2 and a molecular weight of 404.41 g/mol. Its IUPAC name is 4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID20551911
Molecular FormulaC10H4Br2ClF3N2
Molecular Weight404.41 g/mol
Exact Mass401.84
IUPAC Name4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1[nH]c(-c2ccc(Br)cc2Cl)nc1Br
InChIInChI=1S/C10H4Br2ClF3N2/c11-4-1-2-5(6(13)3-4)9-17-7(8(12)18-9)10(14,15)16/h1-3H,(H,17,18)
InChIKeyVCUWAHNQBOXAQS-UHFFFAOYSA-N
XLogP5.27
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.41
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole (CID 20551911) is 4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole is FC(F)(F)c1[nH]c(-c2ccc(Br)cc2Cl)nc1Br.
What is the InChIKey of 4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is VCUWAHNQBOXAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br2ClF3N2/c11-4-1-2-5(6(13)3-4)9-17-7(8(12)18-9)10(14,15)16/h1-3H,(H,17,18).
What are the key properties of 4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole?
4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 404.41 g/mol, XLogP of 5.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 20551911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).