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

C23H21FN6O — CID 20811946

IUPAC2-ethyl-5-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole
SMILESCCc1nnc(-c2ccc3c(c2)nc(Cc2ccnn2-c2cccc(F)c2)n3CC)o1
InChIInChI=1S/C23H21FN6O/c1-3-22-27-28-23(31-22)15-8-9-20-19(12-15)26-21(29(20)4-2)14-18-10-11-25-30(18)17-7-5-6-16(24)13-17/h5-13H,3-4,14H2,1-2H3
InChIKeyMSEABBGDEHGHHY-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.58
Rot. Bonds6

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

2-ethyl-5-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole (PubChem CID 20811946) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-ethyl-5-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole
PubChem CID20811946
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name2-ethyl-5-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole
SMILESCCc1nnc(-c2ccc3c(c2)nc(Cc2ccnn2-c2cccc(F)c2)n3CC)o1
InChIInChI=1S/C23H21FN6O/c1-3-22-27-28-23(31-22)15-8-9-20-19(12-15)26-21(29(20)4-2)14-18-10-11-25-30(18)17-7-5-6-16(24)13-17/h5-13H,3-4,14H2,1-2H3
InChIKeyMSEABBGDEHGHHY-UHFFFAOYSA-N
XLogP4.58
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole (CID 20811946) is 2-ethyl-5-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole is CCc1nnc(-c2ccc3c(c2)nc(Cc2ccnn2-c2cccc(F)c2)n3CC)o1.
What is the InChIKey of 2-ethyl-5-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole?
The InChIKey is MSEABBGDEHGHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c1-3-22-27-28-23(31-22)15-8-9-20-19(12-15)26-21(29(20)4-2)14-18-10-11-25-30(18)17-7-5-6-16(24)13-17/h5-13H,3-4,14H2,1-2H3.
What are the key properties of 2-ethyl-5-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole?
2-ethyl-5-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole has a molecular weight of 416.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 20811946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).