2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole

C27H36N2O — CID 6266974

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole
SMILESCCCCCCCCCCCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C27H36N2O/c1-3-4-5-6-7-8-9-10-13-22-29-26-15-12-11-14-25(26)28-27(29)21-18-23-16-19-24(30-2)20-17-23/h11-12,14-21H,3-10,13,22H2,1-2H3/b21-18+
InChIKeySBPREHYUHKZARF-DYTRJAOYSA-N
MW404.60 g/mol
LogP7.75
Rot. Bonds13

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

2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole (PubChem CID 6266974) has the molecular formula C27H36N2O and a molecular weight of 404.60 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole
PubChem CID6266974
Molecular FormulaC27H36N2O
Molecular Weight404.60 g/mol
Exact Mass404.28
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole
SMILESCCCCCCCCCCCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C27H36N2O/c1-3-4-5-6-7-8-9-10-13-22-29-26-15-12-11-14-25(26)28-27(29)21-18-23-16-19-24(30-2)20-17-23/h11-12,14-21H,3-10,13,22H2,1-2H3/b21-18+
InChIKeySBPREHYUHKZARF-DYTRJAOYSA-N
XLogP7.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole
CID 5088588
1-octadecyl-2-(2-phenylethenyl)benzimidazole
CID 4153645
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
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-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
1-[4-(4-tert-butylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999729
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999714
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
CID 16999755

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole (CID 6266974) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole is CCCCCCCCCCCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole?
The InChIKey is SBPREHYUHKZARF-DYTRJAOYSA-N. The full InChI is InChI=1S/C27H36N2O/c1-3-4-5-6-7-8-9-10-13-22-29-26-15-12-11-14-25(26)28-27(29)21-18-23-16-19-24(30-2)20-17-23/h11-12,14-21H,3-10,13,22H2,1-2H3/b21-18+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole?
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole has a molecular weight of 404.60 g/mol, XLogP of 7.75, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole is sourced from PubChem (CID 6266974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).