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

C10H5BrClF3N2 — CID 170092847

IUPAC2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(-c2ccc(Br)cc2Cl)[nH]1
InChIInChI=1S/C10H5BrClF3N2/c11-5-1-2-6(7(12)3-5)9-16-4-8(17-9)10(13,14)15/h1-4H,(H,16,17)
InChIKeyPYRUCDGPURQPCY-UHFFFAOYSA-N
MW325.52 g/mol
LogP4.51
Rot. Bonds1

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

2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 170092847) has the molecular formula C10H5BrClF3N2 and a molecular weight of 325.52 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID170092847
Molecular FormulaC10H5BrClF3N2
Molecular Weight325.52 g/mol
Exact Mass323.93
IUPAC Name2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(-c2ccc(Br)cc2Cl)[nH]1
InChIInChI=1S/C10H5BrClF3N2/c11-5-1-2-6(7(12)3-5)9-16-4-8(17-9)10(13,14)15/h1-4H,(H,16,17)
InChIKeyPYRUCDGPURQPCY-UHFFFAOYSA-N
XLogP4.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole (CID 170092847) is 2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole is FC(F)(F)c1cnc(-c2ccc(Br)cc2Cl)[nH]1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is PYRUCDGPURQPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClF3N2/c11-5-1-2-6(7(12)3-5)9-16-4-8(17-9)10(13,14)15/h1-4H,(H,16,17).
What are the key properties of 2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole?
2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 325.52 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 170092847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).