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

C22H21FN6O — CID 142663278

IUPAC5-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-2-methyl-5H-1,2,4-oxadiazole
SMILESCCn1c(Cc2ccnn2-c2cccc(F)c2)nc2ccc(C3N=CN(C)O3)cc21
InChIInChI=1S/C22H21FN6O/c1-3-28-20-11-15(22-24-14-27(2)30-22)7-8-19(20)26-21(28)13-18-9-10-25-29(18)17-6-4-5-16(23)12-17/h4-12,14,22H,3,13H2,1-2H3
InChIKeyFJTSEMLKTPFQJQ-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.88
Rot. Bonds5

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

5-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-2-methyl-5H-1,2,4-oxadiazole (PubChem CID 142663278) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is 5-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-2-methyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-2-methyl-5H-1,2,4-oxadiazole
PubChem CID142663278
Molecular FormulaC22H21FN6O
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC Name5-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-2-methyl-5H-1,2,4-oxadiazole
SMILESCCn1c(Cc2ccnn2-c2cccc(F)c2)nc2ccc(C3N=CN(C)O3)cc21
InChIInChI=1S/C22H21FN6O/c1-3-28-20-11-15(22-24-14-27(2)30-22)7-8-19(20)26-21(28)13-18-9-10-25-29(18)17-6-4-5-16(23)12-17/h4-12,14,22H,3,13H2,1-2H3
InChIKeyFJTSEMLKTPFQJQ-UHFFFAOYSA-N
XLogP3.88
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-2-methyl-5H-1,2,4-oxadiazole?
The IUPAC name of 5-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-2-methyl-5H-1,2,4-oxadiazole (CID 142663278) is 5-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-2-methyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-2-methyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-2-methyl-5H-1,2,4-oxadiazole is CCn1c(Cc2ccnn2-c2cccc(F)c2)nc2ccc(C3N=CN(C)O3)cc21.
What is the InChIKey of 5-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-2-methyl-5H-1,2,4-oxadiazole?
The InChIKey is FJTSEMLKTPFQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O/c1-3-28-20-11-15(22-24-14-27(2)30-22)7-8-19(20)26-21(28)13-18-9-10-25-29(18)17-6-4-5-16(23)12-17/h4-12,14,22H,3,13H2,1-2H3.
What are the key properties of 5-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-2-methyl-5H-1,2,4-oxadiazole?
5-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-2-methyl-5H-1,2,4-oxadiazole has a molecular weight of 404.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-2-methyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 142663278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).