3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole

C21H20N4O2 — CID 27369609

IUPAC3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
SMILESCOCc1nc2ccccc2n1CCc1noc(/C=C/c2ccccc2)n1
InChIInChI=1S/C21H20N4O2/c1-26-15-20-22-17-9-5-6-10-18(17)25(20)14-13-19-23-21(27-24-19)12-11-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3/b12-11+
InChIKeyHUDSXOJLMMQYNP-VAWYXSNFSA-N
MW360.42 g/mol
LogP3.98
Rot. Bonds7

About 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole

3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole (PubChem CID 27369609) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
PubChem CID27369609
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
SMILESCOCc1nc2ccccc2n1CCc1noc(/C=C/c2ccccc2)n1
InChIInChI=1S/C21H20N4O2/c1-26-15-20-22-17-9-5-6-10-18(17)25(20)14-13-19-23-21(27-24-19)12-11-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3/b12-11+
InChIKeyHUDSXOJLMMQYNP-VAWYXSNFSA-N
XLogP3.98
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole (CID 27369609) is 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole is COCc1nc2ccccc2n1CCc1noc(/C=C/c2ccccc2)n1.
What is the InChIKey of 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
The InChIKey is HUDSXOJLMMQYNP-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-26-15-20-22-17-9-5-6-10-18(17)25(20)14-13-19-23-21(27-24-19)12-11-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3/b12-11+.
What are the key properties of 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole has a molecular weight of 360.42 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 27369609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).