1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone

C12H8F3N3O — CID 14765607

IUPAC1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone
SMILESCC(=O)n1c2ccccc2n2nc(C(F)(F)F)cc12
InChIInChI=1S/C12H8F3N3O/c1-7(19)17-8-4-2-3-5-9(8)18-11(17)6-10(16-18)12(13,14)15/h2-6H,1H3
InChIKeyNLEAFQBICZXNTG-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.97
Rot. Bonds

About 1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone

1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone (PubChem CID 14765607) has the molecular formula C12H8F3N3O and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone
PubChem CID14765607
Molecular FormulaC12H8F3N3O
Molecular Weight267.21 g/mol
Exact Mass267.06
IUPAC Name1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone
SMILESCC(=O)n1c2ccccc2n2nc(C(F)(F)F)cc12
InChIInChI=1S/C12H8F3N3O/c1-7(19)17-8-4-2-3-5-9(8)18-11(17)6-10(16-18)12(13,14)15/h2-6H,1H3
InChIKeyNLEAFQBICZXNTG-UHFFFAOYSA-N
XLogP2.97
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone?
The IUPAC name of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone (CID 14765607) is 1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone is CC(=O)n1c2ccccc2n2nc(C(F)(F)F)cc12.
What is the InChIKey of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone?
The InChIKey is NLEAFQBICZXNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O/c1-7(19)17-8-4-2-3-5-9(8)18-11(17)6-10(16-18)12(13,14)15/h2-6H,1H3.
What are the key properties of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone?
1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone has a molecular weight of 267.21 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]ethanone is sourced from PubChem (CID 14765607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).