2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole

C13H7F4N3 — CID 104786107

IUPAC2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFc1cncc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C13H7F4N3/c14-9-3-7(5-18-6-9)12-19-10-2-1-8(13(15,16)17)4-11(10)20-12/h1-6H,(H,19,20)
InChIKeyUXIDMSXUXQEIAY-UHFFFAOYSA-N
MW281.21 g/mol
LogP3.78
Rot. Bonds1

About 2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole

2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 104786107) has the molecular formula C13H7F4N3 and a molecular weight of 281.21 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID104786107
Molecular FormulaC13H7F4N3
Molecular Weight281.21 g/mol
Exact Mass281.06
IUPAC Name2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFc1cncc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C13H7F4N3/c14-9-3-7(5-18-6-9)12-19-10-2-1-8(13(15,16)17)4-11(10)20-12/h1-6H,(H,19,20)
InChIKeyUXIDMSXUXQEIAY-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639
6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole
CID 104786095
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
CID 81455369
2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 81455212
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455930

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole (CID 104786107) is 2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole is Fc1cncc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is UXIDMSXUXQEIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4N3/c14-9-3-7(5-18-6-9)12-19-10-2-1-8(13(15,16)17)4-11(10)20-12/h1-6H,(H,19,20).
What are the key properties of 2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 281.21 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 104786107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).