6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole

C8H3BrF4N2 — CID 112758220

IUPAC6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole
SMILESFc1c(Br)cc2[nH]cnc2c1C(F)(F)F
InChIInChI=1S/C8H3BrF4N2/c9-3-1-4-7(15-2-14-4)5(6(3)10)8(11,12)13/h1-2H,(H,14,15)
InChIKeyDKNJWBPRCMMMNZ-UHFFFAOYSA-N
MW283.02 g/mol
LogP3.48
Rot. Bonds

About 6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole

6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole (PubChem CID 112758220) has the molecular formula C8H3BrF4N2 and a molecular weight of 283.02 g/mol. Its IUPAC name is 6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole
PubChem CID112758220
Molecular FormulaC8H3BrF4N2
Molecular Weight283.02 g/mol
Exact Mass281.94
IUPAC Name6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole
SMILESFc1c(Br)cc2[nH]cnc2c1C(F)(F)F
InChIInChI=1S/C8H3BrF4N2/c9-3-1-4-7(15-2-14-4)5(6(3)10)8(11,12)13/h1-2H,(H,14,15)
InChIKeyDKNJWBPRCMMMNZ-UHFFFAOYSA-N
XLogP3.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.02
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole (CID 112758220) is 6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole is Fc1c(Br)cc2[nH]cnc2c1C(F)(F)F.
What is the InChIKey of 6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is DKNJWBPRCMMMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF4N2/c9-3-1-4-7(15-2-14-4)5(6(3)10)8(11,12)13/h1-2H,(H,14,15).
What are the key properties of 6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole?
6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 283.02 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 112758220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).