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

C10H3BrClF5N2 — CID 20551835

IUPAC4-bromo-2-(2-chloro-4,6-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole
SMILESFc1cc(F)c(-c2nc(Br)c(C(F)(F)F)[nH]2)c(Cl)c1
InChIInChI=1S/C10H3BrClF5N2/c11-8-7(10(15,16)17)18-9(19-8)6-4(12)1-3(13)2-5(6)14/h1-2H,(H,18,19)
InChIKeyYJYNSESMRTZVTP-UHFFFAOYSA-N
MW361.50 g/mol
LogP4.79
Rot. Bonds1

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

4-bromo-2-(2-chloro-4,6-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 20551835) has the molecular formula C10H3BrClF5N2 and a molecular weight of 361.50 g/mol. Its IUPAC name is 4-bromo-2-(2-chloro-4,6-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-bromo-2-(2-chloro-4,6-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID20551835
Molecular FormulaC10H3BrClF5N2
Molecular Weight361.50 g/mol
Exact Mass359.91
IUPAC Name4-bromo-2-(2-chloro-4,6-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole
SMILESFc1cc(F)c(-c2nc(Br)c(C(F)(F)F)[nH]2)c(Cl)c1
InChIInChI=1S/C10H3BrClF5N2/c11-8-7(10(15,16)17)18-9(19-8)6-4(12)1-3(13)2-5(6)14/h1-2H,(H,18,19)
InChIKeyYJYNSESMRTZVTP-UHFFFAOYSA-N
XLogP4.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 54.79
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-chloro-4,6-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-bromo-2-(2-chloro-4,6-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole (CID 20551835) is 4-bromo-2-(2-chloro-4,6-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-bromo-2-(2-chloro-4,6-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-bromo-2-(2-chloro-4,6-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole is Fc1cc(F)c(-c2nc(Br)c(C(F)(F)F)[nH]2)c(Cl)c1.
What is the InChIKey of 4-bromo-2-(2-chloro-4,6-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is YJYNSESMRTZVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrClF5N2/c11-8-7(10(15,16)17)18-9(19-8)6-4(12)1-3(13)2-5(6)14/h1-2H,(H,18,19).
What are the key properties of 4-bromo-2-(2-chloro-4,6-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole?
4-bromo-2-(2-chloro-4,6-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 361.50 g/mol, XLogP of 4.79, 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-chloro-4,6-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 20551835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).