2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole

C22H19N3O — CID 22736777

IUPAC2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole
SMILESCCOc1ccc(/C=C/c2nc3ccccc3n2-c2ccccn2)cc1
InChIInChI=1S/C22H19N3O/c1-2-26-18-13-10-17(11-14-18)12-15-22-24-19-7-3-4-8-20(19)25(22)21-9-5-6-16-23-21/h3-16H,2H2,1H3/b15-12+
InChIKeyMFCLSMIIXAZRIE-NTCAYCPXSA-N
MW341.41 g/mol
LogP4.99
Rot. Bonds5

About 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole

2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole (PubChem CID 22736777) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole
PubChem CID22736777
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole
SMILESCCOc1ccc(/C=C/c2nc3ccccc3n2-c2ccccn2)cc1
InChIInChI=1S/C22H19N3O/c1-2-26-18-13-10-17(11-14-18)12-15-22-24-19-7-3-4-8-20(19)25(22)21-9-5-6-16-23-21/h3-16H,2H2,1H3/b15-12+
InChIKeyMFCLSMIIXAZRIE-NTCAYCPXSA-N
XLogP4.99
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride
CID 22736645
2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride
CID 22736743
2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole
CID 22736660
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine
CID 142200300
1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride
CID 22736649
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
1-(4-ethoxyphenyl)benzimidazol-2-amine
CID 43148828
N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031751
N-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide
CID 22736769
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole?
The IUPAC name of 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole (CID 22736777) is 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole.
What is the SMILES notation for 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole?
The canonical SMILES for 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole is CCOc1ccc(/C=C/c2nc3ccccc3n2-c2ccccn2)cc1.
What is the InChIKey of 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole?
The InChIKey is MFCLSMIIXAZRIE-NTCAYCPXSA-N. The full InChI is InChI=1S/C22H19N3O/c1-2-26-18-13-10-17(11-14-18)12-15-22-24-19-7-3-4-8-20(19)25(22)21-9-5-6-16-23-21/h3-16H,2H2,1H3/b15-12+.
What are the key properties of 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole?
2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole has a molecular weight of 341.41 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole is sourced from PubChem (CID 22736777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).