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

C22H23N5O3 — CID 126842596

IUPAC4-[[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine
SMILESCOc1ccc(-c2nnc(Cn3c(CN4CCOCC4)nc4ccccc43)o2)cc1
InChIInChI=1S/C22H23N5O3/c1-28-17-8-6-16(7-9-17)22-25-24-21(30-22)15-27-19-5-3-2-4-18(19)23-20(27)14-26-10-12-29-13-11-26/h2-9H,10-15H2,1H3
InChIKeyDVNLWMHFALDJFV-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.98
Rot. Bonds6

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

4-[[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine (PubChem CID 126842596) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 4-[[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine
PubChem CID126842596
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name4-[[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine
SMILESCOc1ccc(-c2nnc(Cn3c(CN4CCOCC4)nc4ccccc43)o2)cc1
InChIInChI=1S/C22H23N5O3/c1-28-17-8-6-16(7-9-17)22-25-24-21(30-22)15-27-19-5-3-2-4-18(19)23-20(27)14-26-10-12-29-13-11-26/h2-9H,10-15H2,1H3
InChIKeyDVNLWMHFALDJFV-UHFFFAOYSA-N
XLogP2.98
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine (CID 126842596) is 4-[[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine is COc1ccc(-c2nnc(Cn3c(CN4CCOCC4)nc4ccccc43)o2)cc1.
What is the InChIKey of 4-[[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
The InChIKey is DVNLWMHFALDJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-28-17-8-6-16(7-9-17)22-25-24-21(30-22)15-27-19-5-3-2-4-18(19)23-20(27)14-26-10-12-29-13-11-26/h2-9H,10-15H2,1H3.
What are the key properties of 4-[[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
4-[[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine has a molecular weight of 405.46 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 126842596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).