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

C16H9F3N4O — CID 162665124

IUPAC2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4nnco4)cc3)[nH]c2c1
InChIInChI=1S/C16H9F3N4O/c17-16(18,19)11-5-6-12-13(7-11)22-14(21-12)9-1-3-10(4-2-9)15-23-20-8-24-15/h1-8H,(H,21,22)
InChIKeyUQEMOBMSXGCOTB-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.30
Rot. Bonds2

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

2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 162665124) has the molecular formula C16H9F3N4O and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole
PubChem CID162665124
Molecular FormulaC16H9F3N4O
Molecular Weight330.27 g/mol
Exact Mass330.07
IUPAC Name2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4nnco4)cc3)[nH]c2c1
InChIInChI=1S/C16H9F3N4O/c17-16(18,19)11-5-6-12-13(7-11)22-14(21-12)9-1-3-10(4-2-9)15-23-20-8-24-15/h1-8H,(H,21,22)
InChIKeyUQEMOBMSXGCOTB-UHFFFAOYSA-N
XLogP4.30
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole (CID 162665124) is 2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole is FC(F)(F)c1ccc2nc(-c3ccc(-c4nnco4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is UQEMOBMSXGCOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4O/c17-16(18,19)11-5-6-12-13(7-11)22-14(21-12)9-1-3-10(4-2-9)15-23-20-8-24-15/h1-8H,(H,21,22).
What are the key properties of 2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole?
2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 330.27 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162665124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).