3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole

C11H7F3N4O — CID 27569531

IUPAC3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(Cn2cnc3ccccc32)no1
InChIInChI=1S/C11H7F3N4O/c12-11(13,14)10-16-9(17-19-10)5-18-6-15-7-3-1-2-4-8(7)18/h1-4,6H,5H2
InChIKeyYHYIJXIRHZMKSR-UHFFFAOYSA-N
MW268.20 g/mol
LogP2.49
Rot. Bonds2

About 3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole

3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 27569531) has the molecular formula C11H7F3N4O and a molecular weight of 268.20 g/mol. Its IUPAC name is 3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID27569531
Molecular FormulaC11H7F3N4O
Molecular Weight268.20 g/mol
Exact Mass268.06
IUPAC Name3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(Cn2cnc3ccccc32)no1
InChIInChI=1S/C11H7F3N4O/c12-11(13,14)10-16-9(17-19-10)5-18-6-15-7-3-1-2-4-8(7)18/h1-4,6H,5H2
InChIKeyYHYIJXIRHZMKSR-UHFFFAOYSA-N
XLogP2.49
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 27569531) is 3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1nc(Cn2cnc3ccccc32)no1.
What is the InChIKey of 3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is YHYIJXIRHZMKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4O/c12-11(13,14)10-16-9(17-19-10)5-18-6-15-7-3-1-2-4-8(7)18/h1-4,6H,5H2.
What are the key properties of 3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 268.20 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 27569531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).