3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole

C10H7F3N4O — CID 134284036

IUPAC3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc2nc(N3COC=N3)[nH]c2c1
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)6-1-2-7-8(3-6)16-9(15-7)17-5-18-4-14-17/h1-4H,5H2,(H,15,16)
InChIKeyMGRBRPCFUAQOIE-UHFFFAOYSA-N
MW256.19 g/mol
LogP2.32
Rot. Bonds1

About 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole

3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole (PubChem CID 134284036) has the molecular formula C10H7F3N4O and a molecular weight of 256.19 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole
PubChem CID134284036
Molecular FormulaC10H7F3N4O
Molecular Weight256.19 g/mol
Exact Mass256.06
IUPAC Name3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc2nc(N3COC=N3)[nH]c2c1
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)6-1-2-7-8(3-6)16-9(15-7)17-5-18-4-14-17/h1-4H,5H2,(H,15,16)
InChIKeyMGRBRPCFUAQOIE-UHFFFAOYSA-N
XLogP2.32
TPSA53.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole
CID 73011048
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one
CID 154207023
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-ol
CID 81455714
2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 112730249
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-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 106827844
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 69314916
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine
CID 134084566

Frequently Asked Questions

What is the IUPAC name of 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole?
The IUPAC name of 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole (CID 134284036) is 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole.
What is the SMILES notation for 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole?
The canonical SMILES for 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole is FC(F)(F)c1ccc2nc(N3COC=N3)[nH]c2c1.
What is the InChIKey of 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole?
The InChIKey is MGRBRPCFUAQOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O/c11-10(12,13)6-1-2-7-8(3-6)16-9(15-7)17-5-18-4-14-17/h1-4H,5H2,(H,15,16).
What are the key properties of 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole?
3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole has a molecular weight of 256.19 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole is sourced from PubChem (CID 134284036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).