2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole

C14H7BrF4N2 — CID 81455930

IUPAC2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(Br)c1
InChIInChI=1S/C14H7BrF4N2/c15-10-6-8(16)2-3-9(10)13-20-11-4-1-7(14(17,18)19)5-12(11)21-13/h1-6H,(H,20,21)
InChIKeyFQLMAVBHNYTHKV-UHFFFAOYSA-N
MW359.12 g/mol
LogP5.15
Rot. Bonds1

About 2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole

2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 81455930) has the molecular formula C14H7BrF4N2 and a molecular weight of 359.12 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID81455930
Molecular FormulaC14H7BrF4N2
Molecular Weight359.12 g/mol
Exact Mass357.97
IUPAC Name2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(Br)c1
InChIInChI=1S/C14H7BrF4N2/c15-10-6-8(16)2-3-9(10)13-20-11-4-1-7(14(17,18)19)5-12(11)21-13/h1-6H,(H,20,21)
InChIKeyFQLMAVBHNYTHKV-UHFFFAOYSA-N
XLogP5.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.12
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-4-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62069158
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 112730249
2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 104786107
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol
CID 136903850
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 114020270
5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
CID 81455369
2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 107963358
2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 157123824

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole (CID 81455930) is 2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole is Fc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is FQLMAVBHNYTHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF4N2/c15-10-6-8(16)2-3-9(10)13-20-11-4-1-7(14(17,18)19)5-12(11)21-13/h1-6H,(H,20,21).
What are the key properties of 2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 359.12 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 81455930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).