5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole

C8H3Br2F3N2 — CID 14068551

IUPAC5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2cc(Br)c(Br)cc2[nH]1
InChIInChI=1S/C8H3Br2F3N2/c9-3-1-5-6(2-4(3)10)15-7(14-5)8(11,12)13/h1-2H,(H,14,15)
InChIKeyJLNGJAVPDRIMBL-UHFFFAOYSA-N
MW343.93 g/mol
LogP4.11
Rot. Bonds

About 5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole

5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole (PubChem CID 14068551) has the molecular formula C8H3Br2F3N2 and a molecular weight of 343.93 g/mol. Its IUPAC name is 5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole
PubChem CID14068551
Molecular FormulaC8H3Br2F3N2
Molecular Weight343.93 g/mol
Exact Mass341.86
IUPAC Name5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2cc(Br)c(Br)cc2[nH]1
InChIInChI=1S/C8H3Br2F3N2/c9-3-1-5-6(2-4(3)10)15-7(14-5)8(11,12)13/h1-2H,(H,14,15)
InChIKeyJLNGJAVPDRIMBL-UHFFFAOYSA-N
XLogP4.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.93
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole (CID 14068551) is 5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1nc2cc(Br)c(Br)cc2[nH]1.
What is the InChIKey of 5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is JLNGJAVPDRIMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2F3N2/c9-3-1-5-6(2-4(3)10)15-7(14-5)8(11,12)13/h1-2H,(H,14,15).
What are the key properties of 5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole?
5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 343.93 g/mol, XLogP of 4.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 14068551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).