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

C13H8F3N3 — CID 174793000

IUPAC6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1cccc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)12-3-1-2-9(19-12)8-4-5-10-11(6-8)18-7-17-10/h1-7H,(H,17,18)
InChIKeyBLRDSSGSPMZJDW-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.64
Rot. Bonds1

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

6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole (PubChem CID 174793000) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
PubChem CID174793000
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1cccc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)12-3-1-2-9(19-12)8-4-5-10-11(6-8)18-7-17-10/h1-7H,(H,17,18)
InChIKeyBLRDSSGSPMZJDW-UHFFFAOYSA-N
XLogP3.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The IUPAC name of 6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole (CID 174793000) is 6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole is FC(F)(F)c1cccc(-c2ccc3nc[nH]c3c2)n1.
What is the InChIKey of 6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
The InChIKey is BLRDSSGSPMZJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c14-13(15,16)12-3-1-2-9(19-12)8-4-5-10-11(6-8)18-7-17-10/h1-7H,(H,17,18).
What are the key properties of 6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole?
6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole has a molecular weight of 263.22 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 174793000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).