4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole

C8H3Br2F3N2 — CID 23097

IUPAC4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2c(Br)cc(Br)cc2[nH]1
InChIInChI=1S/C8H3Br2F3N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)
InChIKeyIPVBKOUKUCKNIK-UHFFFAOYSA-N
MW343.93 g/mol
LogP4.11
Rot. Bonds

About 4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole

4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole (PubChem CID 23097) has the molecular formula C8H3Br2F3N2 and a molecular weight of 343.93 g/mol. Its IUPAC name is 4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole
PubChem CID23097
Molecular FormulaC8H3Br2F3N2
Molecular Weight343.93 g/mol
Exact Mass341.86
IUPAC Name4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2c(Br)cc(Br)cc2[nH]1
InChIInChI=1S/C8H3Br2F3N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)
InChIKeyIPVBKOUKUCKNIK-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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Related Compounds

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CID 19343
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CID 75358
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CID 82119
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CID 351923
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CID 785299
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CID 610979
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CID 14068551
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CID 5378086
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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole (CID 23097) is 4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1nc2c(Br)cc(Br)cc2[nH]1.
What is the InChIKey of 4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is IPVBKOUKUCKNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2F3N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15).
What are the key properties of 4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole?
4,6-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 4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 23097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).