4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine

C21H20FN5O2 — CID 126842588

IUPAC4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine
SMILESFc1ccc(-c2nnc(Cn3c(CN4CCOCC4)nc4ccccc43)o2)cc1
InChIInChI=1S/C21H20FN5O2/c22-16-7-5-15(6-8-16)21-25-24-20(29-21)14-27-18-4-2-1-3-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2
InChIKeyZSSXWLGAQXXHRS-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.11
Rot. Bonds5

About 4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine

4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine (PubChem CID 126842588) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine
PubChem CID126842588
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine
SMILESFc1ccc(-c2nnc(Cn3c(CN4CCOCC4)nc4ccccc43)o2)cc1
InChIInChI=1S/C21H20FN5O2/c22-16-7-5-15(6-8-16)21-25-24-20(29-21)14-27-18-4-2-1-3-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2
InChIKeyZSSXWLGAQXXHRS-UHFFFAOYSA-N
XLogP3.11
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine (CID 126842588) is 4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine is Fc1ccc(-c2nnc(Cn3c(CN4CCOCC4)nc4ccccc43)o2)cc1.
What is the InChIKey of 4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
The InChIKey is ZSSXWLGAQXXHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-16-7-5-15(6-8-16)21-25-24-20(29-21)14-27-18-4-2-1-3-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2.
What are the key properties of 4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine has a molecular weight of 393.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 126842588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).