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

C21H21N5O2 — CID 126842584

IUPAC4-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-yl]methyl]morpholine
SMILESc1ccc(-c2nnc(Cn3c(CN4CCOCC4)nc4ccccc43)o2)cc1
InChIInChI=1S/C21H21N5O2/c1-2-6-16(7-3-1)21-24-23-20(28-21)15-26-18-9-5-4-8-17(18)22-19(26)14-25-10-12-27-13-11-25/h1-9H,10-15H2
InChIKeyYSNDMAHXEPOQLU-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.97
Rot. Bonds5

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

4-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-yl]methyl]morpholine (PubChem CID 126842584) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-yl]methyl]morpholine
PubChem CID126842584
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-yl]methyl]morpholine
SMILESc1ccc(-c2nnc(Cn3c(CN4CCOCC4)nc4ccccc43)o2)cc1
InChIInChI=1S/C21H21N5O2/c1-2-6-16(7-3-1)21-24-23-20(28-21)15-26-18-9-5-4-8-17(18)22-19(26)14-25-10-12-27-13-11-25/h1-9H,10-15H2
InChIKeyYSNDMAHXEPOQLU-UHFFFAOYSA-N
XLogP2.97
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-yl]methyl]morpholine (CID 126842584) is 4-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-yl]methyl]morpholine is c1ccc(-c2nnc(Cn3c(CN4CCOCC4)nc4ccccc43)o2)cc1.
What is the InChIKey of 4-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-yl]methyl]morpholine?
The InChIKey is YSNDMAHXEPOQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-2-6-16(7-3-1)21-24-23-20(28-21)15-26-18-9-5-4-8-17(18)22-19(26)14-25-10-12-27-13-11-25/h1-9H,10-15H2.
What are the key properties of 4-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-yl]methyl]morpholine?
4-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-yl]methyl]morpholine has a molecular weight of 375.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 126842584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).