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

C20H20N4O3 — CID 27440660

IUPAC3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOCc1nc2ccccc2n1CCc1noc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C20H20N4O3/c1-25-13-19-21-16-5-3-4-6-17(16)24(19)12-11-18-22-20(27-23-18)14-7-9-15(26-2)10-8-14/h3-10H,11-13H2,1-2H3
InChIKeyWNLKTFWUBKDWPZ-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.48
Rot. Bonds7

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

3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 27440660) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID27440660
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOCc1nc2ccccc2n1CCc1noc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C20H20N4O3/c1-25-13-19-21-16-5-3-4-6-17(16)24(19)12-11-18-22-20(27-23-18)14-7-9-15(26-2)10-8-14/h3-10H,11-13H2,1-2H3
InChIKeyWNLKTFWUBKDWPZ-UHFFFAOYSA-N
XLogP3.48
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
CID 27369609
2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride
CID 44654062
2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996931
1-dodecyl-2-(methoxymethyl)benzimidazole
CID 16996870
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole
CID 16996918
5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 30777405
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
3-[(3,5-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878775
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 27440660) is 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole is COCc1nc2ccccc2n1CCc1noc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is WNLKTFWUBKDWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-25-13-19-21-16-5-3-4-6-17(16)24(19)12-11-18-22-20(27-23-18)14-7-9-15(26-2)10-8-14/h3-10H,11-13H2,1-2H3.
What are the key properties of 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 364.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 27440660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).