2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole

C22H20N2O3 — CID 16999920

IUPAC2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
SMILESCOc1ccc(OCCn2c(/C=C/c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C22H20N2O3/c1-25-17-8-10-19(11-9-17)27-16-14-24-21-7-3-2-6-20(21)23-22(24)13-12-18-5-4-15-26-18/h2-13,15H,14,16H2,1H3/b13-12+
InChIKeyMDDMRRJRYADIDL-OUKQBFOZSA-N
MW360.41 g/mol
LogP4.89
Rot. Bonds7

About 2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole

2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole (PubChem CID 16999920) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
PubChem CID16999920
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
SMILESCOc1ccc(OCCn2c(/C=C/c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C22H20N2O3/c1-25-17-8-10-19(11-9-17)27-16-14-24-21-7-3-2-6-20(21)23-22(24)13-12-18-5-4-15-26-18/h2-13,15H,14,16H2,1H3/b13-12+
InChIKeyMDDMRRJRYADIDL-OUKQBFOZSA-N
XLogP4.89
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole
CID 3723983
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
CID 16999945
2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
CID 16999922
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
CID 16999939
2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole
CID 7574428
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999687
1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999616
2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole
CID 16999879
2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16999930
1-[4-(4-tert-butylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999729

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole (CID 16999920) is 2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole is COc1ccc(OCCn2c(/C=C/c3ccco3)nc3ccccc32)cc1.
What is the InChIKey of 2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
The InChIKey is MDDMRRJRYADIDL-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-25-17-8-10-19(11-9-17)27-16-14-24-21-7-3-2-6-20(21)23-22(24)13-12-18-5-4-15-26-18/h2-13,15H,14,16H2,1H3/b13-12+.
What are the key properties of 2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole has a molecular weight of 360.41 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16999920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).