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

C22H23N5O2 — CID 126842594

IUPAC4-[[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine
SMILESCc1ccc(-c2nnc(Cn3c(CN4CCOCC4)nc4ccccc43)o2)cc1
InChIInChI=1S/C22H23N5O2/c1-16-6-8-17(9-7-16)22-25-24-21(29-22)15-27-19-5-3-2-4-18(19)23-20(27)14-26-10-12-28-13-11-26/h2-9H,10-15H2,1H3
InChIKeyKVANAJMVHRQFHL-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.28
Rot. Bonds5

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

4-[[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine (PubChem CID 126842594) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine
PubChem CID126842594
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-[[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine
SMILESCc1ccc(-c2nnc(Cn3c(CN4CCOCC4)nc4ccccc43)o2)cc1
InChIInChI=1S/C22H23N5O2/c1-16-6-8-17(9-7-16)22-25-24-21(29-22)15-27-19-5-3-2-4-18(19)23-20(27)14-26-10-12-28-13-11-26/h2-9H,10-15H2,1H3
InChIKeyKVANAJMVHRQFHL-UHFFFAOYSA-N
XLogP3.28
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.28
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-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine (CID 126842594) is 4-[[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine is Cc1ccc(-c2nnc(Cn3c(CN4CCOCC4)nc4ccccc43)o2)cc1.
What is the InChIKey of 4-[[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
The InChIKey is KVANAJMVHRQFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16-6-8-17(9-7-16)22-25-24-21(29-22)15-27-19-5-3-2-4-18(19)23-20(27)14-26-10-12-28-13-11-26/h2-9H,10-15H2,1H3.
What are the key properties of 4-[[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
4-[[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine has a molecular weight of 389.46 g/mol, XLogP of 3.28, 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-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 126842594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).