2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole

C24H22N2O2 — CID 6040576

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
SMILESCOc1ccc(/C=C/c2nc3ccccc3n2CCOc2ccccc2)cc1
InChIInChI=1S/C24H22N2O2/c1-27-20-14-11-19(12-15-20)13-16-24-25-22-9-5-6-10-23(22)26(24)17-18-28-21-7-3-2-4-8-21/h2-16H,17-18H2,1H3/b16-13+
InChIKeyHGPCWNVZIWSIIR-DTQAZKPQSA-N
MW370.45 g/mol
LogP5.29
Rot. Bonds7

About 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole

2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole (PubChem CID 6040576) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
PubChem CID6040576
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
SMILESCOc1ccc(/C=C/c2nc3ccccc3n2CCOc2ccccc2)cc1
InChIInChI=1S/C24H22N2O2/c1-27-20-14-11-19(12-15-20)13-16-24-25-22-9-5-6-10-23(22)26(24)17-18-28-21-7-3-2-4-8-21/h2-16H,17-18H2,1H3/b16-13+
InChIKeyHGPCWNVZIWSIIR-DTQAZKPQSA-N
XLogP5.29
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999687
1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999616
1-[4-(4-tert-butylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999729
2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16999920
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16999796
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole
CID 5088588
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole
CID 6266974
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999714
1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879216
1-(3-naphthalen-2-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879224

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole (CID 6040576) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole is COc1ccc(/C=C/c2nc3ccccc3n2CCOc2ccccc2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole?
The InChIKey is HGPCWNVZIWSIIR-DTQAZKPQSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-27-20-14-11-19(12-15-20)13-16-24-25-22-9-5-6-10-23(22)26(24)17-18-28-21-7-3-2-4-8-21/h2-16H,17-18H2,1H3/b16-13+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole?
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole has a molecular weight of 370.45 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole is sourced from PubChem (CID 6040576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).