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

C21H20ClN5O2 — CID 126842585

IUPAC4-[[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine
SMILESClc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc32)o1
InChIInChI=1S/C21H20ClN5O2/c22-16-6-2-1-5-15(16)21-25-24-20(29-21)14-27-18-8-4-3-7-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2
InChIKeyBAWFHMGCKIAVEL-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.62
Rot. Bonds5

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

4-[[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine (PubChem CID 126842585) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 4-[[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine
PubChem CID126842585
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name4-[[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine
SMILESClc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc32)o1
InChIInChI=1S/C21H20ClN5O2/c22-16-6-2-1-5-15(16)21-25-24-20(29-21)14-27-18-8-4-3-7-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2
InChIKeyBAWFHMGCKIAVEL-UHFFFAOYSA-N
XLogP3.62
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine (CID 126842585) is 4-[[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine is Clc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc32)o1.
What is the InChIKey of 4-[[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
The InChIKey is BAWFHMGCKIAVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c22-16-6-2-1-5-15(16)21-25-24-20(29-21)14-27-18-8-4-3-7-17(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-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
4-[[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine has a molecular weight of 409.88 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 126842585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).