6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole

C18H10BrF3N4 — CID 56948407

IUPAC6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1cccnc1-c1ccc(-c2nc3ccc(Br)cc3[nH]2)nc1
InChIInChI=1S/C18H10BrF3N4/c19-11-4-6-13-15(8-11)26-17(25-13)14-5-3-10(9-24-14)16-12(18(20,21)22)2-1-7-23-16/h1-9H,(H,25,26)
InChIKeyWGAVAOCYBMNWID-UHFFFAOYSA-N
MW419.20 g/mol
LogP5.47
Rot. Bonds2

About 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole

6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole (PubChem CID 56948407) has the molecular formula C18H10BrF3N4 and a molecular weight of 419.20 g/mol. Its IUPAC name is 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole
PubChem CID56948407
Molecular FormulaC18H10BrF3N4
Molecular Weight419.20 g/mol
Exact Mass418.00
IUPAC Name6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1cccnc1-c1ccc(-c2nc3ccc(Br)cc3[nH]2)nc1
InChIInChI=1S/C18H10BrF3N4/c19-11-4-6-13-15(8-11)26-17(25-13)14-5-3-10(9-24-14)16-12(18(20,21)22)2-1-7-23-16/h1-9H,(H,25,26)
InChIKeyWGAVAOCYBMNWID-UHFFFAOYSA-N
XLogP5.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.20
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole (CID 56948407) is 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole is FC(F)(F)c1cccnc1-c1ccc(-c2nc3ccc(Br)cc3[nH]2)nc1.
What is the InChIKey of 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole?
The InChIKey is WGAVAOCYBMNWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrF3N4/c19-11-4-6-13-15(8-11)26-17(25-13)14-5-3-10(9-24-14)16-12(18(20,21)22)2-1-7-23-16/h1-9H,(H,25,26).
What are the key properties of 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole?
6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole has a molecular weight of 419.20 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 56948407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).