2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole

C19H12F3N3 — CID 71731010

IUPAC2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2c1
InChIInChI=1S/C19H12F3N3/c20-19(21,22)15-7-8-16-17(10-15)25-18(24-16)13-5-3-12(4-6-13)14-2-1-9-23-11-14/h1-11H,(H,24,25)
InChIKeyFOGXXQUNEUICRC-UHFFFAOYSA-N
MW339.32 g/mol
LogP5.31
Rot. Bonds2

About 2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole

2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 71731010) has the molecular formula C19H12F3N3 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID71731010
Molecular FormulaC19H12F3N3
Molecular Weight339.32 g/mol
Exact Mass339.10
IUPAC Name2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2c1
InChIInChI=1S/C19H12F3N3/c20-19(21,22)15-7-8-16-17(10-15)25-18(24-16)13-5-3-12(4-6-13)14-2-1-9-23-11-14/h1-11H,(H,24,25)
InChIKeyFOGXXQUNEUICRC-UHFFFAOYSA-N
XLogP5.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.32
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole (CID 71731010) is 2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1ccc2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is FOGXXQUNEUICRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3/c20-19(21,22)15-7-8-16-17(10-15)25-18(24-16)13-5-3-12(4-6-13)14-2-1-9-23-11-14/h1-11H,(H,24,25).
What are the key properties of 2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 339.32 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 71731010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).