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

C26H20FN7O — CID 20811922

IUPAC2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCCn1c(Cc2ccnn2-c2cccc(F)c2)nc2cc(-c3nnc(-c4cccnc4)o3)ccc21
InChIInChI=1S/C26H20FN7O/c1-2-33-23-9-8-17(25-31-32-26(35-25)18-5-4-11-28-16-18)13-22(23)30-24(33)15-21-10-12-29-34(21)20-7-3-6-19(27)14-20/h3-14,16H,2,15H2,1H3
InChIKeySPFIGQBGEIKTBM-UHFFFAOYSA-N
MW465.49 g/mol
LogP5.08
Rot. Bonds6

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

2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 20811922) has the molecular formula C26H20FN7O and a molecular weight of 465.49 g/mol. Its IUPAC name is 2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID20811922
Molecular FormulaC26H20FN7O
Molecular Weight465.49 g/mol
Exact Mass465.17
IUPAC Name2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCCn1c(Cc2ccnn2-c2cccc(F)c2)nc2cc(-c3nnc(-c4cccnc4)o3)ccc21
InChIInChI=1S/C26H20FN7O/c1-2-33-23-9-8-17(25-31-32-26(35-25)18-5-4-11-28-16-18)13-22(23)30-24(33)15-21-10-12-29-34(21)20-7-3-6-19(27)14-20/h3-14,16H,2,15H2,1H3
InChIKeySPFIGQBGEIKTBM-UHFFFAOYSA-N
XLogP5.08
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.49
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 20811922) is 2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is CCn1c(Cc2ccnn2-c2cccc(F)c2)nc2cc(-c3nnc(-c4cccnc4)o3)ccc21.
What is the InChIKey of 2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is SPFIGQBGEIKTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O/c1-2-33-23-9-8-17(25-31-32-26(35-25)18-5-4-11-28-16-18)13-22(23)30-24(33)15-21-10-12-29-34(21)20-7-3-6-19(27)14-20/h3-14,16H,2,15H2,1H3.
What are the key properties of 2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 465.49 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 20811922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).