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

C22H19FN6O — CID 20811923

IUPAC2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole
SMILESCCn1c(Cc2ccnn2-c2cccc(F)c2)nc2cc(-c3nnc(C)o3)ccc21
InChIInChI=1S/C22H19FN6O/c1-3-28-20-8-7-15(22-27-26-14(2)30-22)11-19(20)25-21(28)13-18-9-10-24-29(18)17-6-4-5-16(23)12-17/h4-12H,3,13H2,1-2H3
InChIKeyRQKHEADGUGZABI-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.33
Rot. Bonds5

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

2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 20811923) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID20811923
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole
SMILESCCn1c(Cc2ccnn2-c2cccc(F)c2)nc2cc(-c3nnc(C)o3)ccc21
InChIInChI=1S/C22H19FN6O/c1-3-28-20-8-7-15(22-27-26-14(2)30-22)11-19(20)25-21(28)13-18-9-10-24-29(18)17-6-4-5-16(23)12-17/h4-12H,3,13H2,1-2H3
InChIKeyRQKHEADGUGZABI-UHFFFAOYSA-N
XLogP4.33
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole (CID 20811923) is 2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-methyl-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-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole is CCn1c(Cc2ccnn2-c2cccc(F)c2)nc2cc(-c3nnc(C)o3)ccc21.
What is the InChIKey of 2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is RQKHEADGUGZABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c1-3-28-20-8-7-15(22-27-26-14(2)30-22)11-19(20)25-21(28)13-18-9-10-24-29(18)17-6-4-5-16(23)12-17/h4-12H,3,13H2,1-2H3.
What are the key properties of 2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole?
2-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 402.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 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-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 20811923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).