2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole

C21H17FN6O — CID 20811929

IUPAC2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole
SMILESCCn1c(Cc2ccnn2-c2cccc(F)c2)nc2ccc(-c3nnco3)cc21
InChIInChI=1S/C21H17FN6O/c1-2-27-19-10-14(21-26-23-13-29-21)6-7-18(19)25-20(27)12-17-8-9-24-28(17)16-5-3-4-15(22)11-16/h3-11,13H,2,12H2,1H3
InChIKeyVWRYXFPPXZVITR-UHFFFAOYSA-N
MW388.41 g/mol
LogP4.02
Rot. Bonds5

About 2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole

2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole (PubChem CID 20811929) has the molecular formula C21H17FN6O and a molecular weight of 388.41 g/mol. Its IUPAC name is 2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole
PubChem CID20811929
Molecular FormulaC21H17FN6O
Molecular Weight388.41 g/mol
Exact Mass388.14
IUPAC Name2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole
SMILESCCn1c(Cc2ccnn2-c2cccc(F)c2)nc2ccc(-c3nnco3)cc21
InChIInChI=1S/C21H17FN6O/c1-2-27-19-10-14(21-26-23-13-29-21)6-7-18(19)25-20(27)12-17-8-9-24-28(17)16-5-3-4-15(22)11-16/h3-11,13H,2,12H2,1H3
InChIKeyVWRYXFPPXZVITR-UHFFFAOYSA-N
XLogP4.02
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole (CID 20811929) is 2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole is CCn1c(Cc2ccnn2-c2cccc(F)c2)nc2ccc(-c3nnco3)cc21.
What is the InChIKey of 2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole?
The InChIKey is VWRYXFPPXZVITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O/c1-2-27-19-10-14(21-26-23-13-29-21)6-7-18(19)25-20(27)12-17-8-9-24-28(17)16-5-3-4-15(22)11-16/h3-11,13H,2,12H2,1H3.
What are the key properties of 2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole?
2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole has a molecular weight of 388.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 20811929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).