2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole

C24H22N2O — CID 3728738

IUPAC2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole
SMILESCOc1ccccc1C=Cc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C24H22N2O/c1-27-23-14-8-5-11-20(23)15-16-24-25-21-12-6-7-13-22(21)26(24)18-17-19-9-3-2-4-10-19/h2-16H,17-18H2,1H3
InChIKeyCRFLWKQWIDYRFK-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.46
Rot. Bonds6

About 2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole

2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole (PubChem CID 3728738) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole
PubChem CID3728738
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole
SMILESCOc1ccccc1C=Cc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C24H22N2O/c1-27-23-14-8-5-11-20(23)15-16-24-25-21-12-6-7-13-22(21)26(24)18-17-19-9-3-2-4-10-19/h2-16H,17-18H2,1H3
InChIKeyCRFLWKQWIDYRFK-UHFFFAOYSA-N
XLogP5.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride
CID 171151741
2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole
CID 40517498
3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methylquinoxalin-2-one
CID 7186381
1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole
CID 3805871
1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999616
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576
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-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole (CID 3728738) is 2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole is COc1ccccc1C=Cc1nc2ccccc2n1CCc1ccccc1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole?
The InChIKey is CRFLWKQWIDYRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-27-23-14-8-5-11-20(23)15-16-24-25-21-12-6-7-13-22(21)26(24)18-17-19-9-3-2-4-10-19/h2-16H,17-18H2,1H3.
What are the key properties of 2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole?
2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole has a molecular weight of 354.45 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole is sourced from PubChem (CID 3728738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).