1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one

C13H8F3N3O — CID 154207023

IUPAC1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one
SMILESO=c1ccccn1-c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)8-4-5-9-10(7-8)18-12(17-9)19-6-2-1-3-11(19)20/h1-7H,(H,17,18)
InChIKeyLVFQCXHOSWNEGV-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.73
Rot. Bonds1

About 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one

1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one (PubChem CID 154207023) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one
PubChem CID154207023
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one
SMILESO=c1ccccn1-c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)8-4-5-9-10(7-8)18-12(17-9)19-6-2-1-3-11(19)20/h1-7H,(H,17,18)
InChIKeyLVFQCXHOSWNEGV-UHFFFAOYSA-N
XLogP2.73
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole
CID 73011048
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole
CID 134284036
2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 141252366
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
CID 67378249
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-ol
CID 81455714
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one
CID 10387906
phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine
CID 81456700
methanol;6-(trifluoromethyl)-1H-benzimidazole-2-sulfonic acid
CID 144728382
2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456026
[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 122583322

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one?
The IUPAC name of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one (CID 154207023) is 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one?
The canonical SMILES for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one is O=c1ccccn1-c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one?
The InChIKey is LVFQCXHOSWNEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)8-4-5-9-10(7-8)18-12(17-9)19-6-2-1-3-11(19)20/h1-7H,(H,17,18).
What are the key properties of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one?
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one has a molecular weight of 279.22 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one is sourced from PubChem (CID 154207023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).