3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole

C15H8ClFN4O — CID 59214199

IUPAC3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1Cl
InChIInChI=1S/C15H8ClFN4O/c16-10-5-9(1-3-11(10)17)15-20-14(21-22-15)8-2-4-12-13(6-8)19-7-18-12/h1-7H,(H,18,19)
InChIKeyPJPQUMCZQSISBG-UHFFFAOYSA-N
MW314.71 g/mol
LogP4.07
Rot. Bonds2

About 3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole

3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 59214199) has the molecular formula C15H8ClFN4O and a molecular weight of 314.71 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID59214199
Molecular FormulaC15H8ClFN4O
Molecular Weight314.71 g/mol
Exact Mass314.04
IUPAC Name3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1Cl
InChIInChI=1S/C15H8ClFN4O/c16-10-5-9(1-3-11(10)17)15-20-14(21-22-15)8-2-4-12-13(6-8)19-7-18-12/h1-7H,(H,18,19)
InChIKeyPJPQUMCZQSISBG-UHFFFAOYSA-N
XLogP4.07
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.71
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole (CID 59214199) is 3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1Cl.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is PJPQUMCZQSISBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN4O/c16-10-5-9(1-3-11(10)17)15-20-14(21-22-15)8-2-4-12-13(6-8)19-7-18-12/h1-7H,(H,18,19).
What are the key properties of 3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole?
3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 314.71 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 59214199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).