2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole

C24H32N2O — CID 16999879

IUPAC2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole
SMILESCCCCCCCCCCCn1c(/C=C/c2ccco2)nc2ccccc21
InChIInChI=1S/C24H32N2O/c1-2-3-4-5-6-7-8-9-12-19-26-23-16-11-10-15-22(23)25-24(26)18-17-21-14-13-20-27-21/h10-11,13-18,20H,2-9,12,19H2,1H3/b18-17+
InChIKeyRDAKQEZQONCISI-ISLYRVAYSA-N
MW364.53 g/mol
LogP7.33
Rot. Bonds12

About 2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole

2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole (PubChem CID 16999879) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole
PubChem CID16999879
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole
SMILESCCCCCCCCCCCn1c(/C=C/c2ccco2)nc2ccccc21
InChIInChI=1S/C24H32N2O/c1-2-3-4-5-6-7-8-9-12-19-26-23-16-11-10-15-22(23)25-24(26)18-17-21-14-13-20-27-21/h10-11,13-18,20H,2-9,12,19H2,1H3/b18-17+
InChIKeyRDAKQEZQONCISI-ISLYRVAYSA-N
XLogP7.33
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 57.33
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

1-octadecyl-2-(2-phenylethenyl)benzimidazole
CID 4153645
2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole
CID 7574428
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16999930
2-[2-(furan-2-yl)ethenyl]-1-methylbenzimidazole
CID 2871543
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
CID 16999939
2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole
CID 3162026
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-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16999920
2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole
CID 5088588
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole
CID 6266974
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole?
The IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole (CID 16999879) is 2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole.
What is the SMILES notation for 2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole?
The canonical SMILES for 2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole is CCCCCCCCCCCn1c(/C=C/c2ccco2)nc2ccccc21.
What is the InChIKey of 2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole?
The InChIKey is RDAKQEZQONCISI-ISLYRVAYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-2-3-4-5-6-7-8-9-12-19-26-23-16-11-10-15-22(23)25-24(26)18-17-21-14-13-20-27-21/h10-11,13-18,20H,2-9,12,19H2,1H3/b18-17+.
What are the key properties of 2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole?
2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole has a molecular weight of 364.53 g/mol, XLogP of 7.33, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole is sourced from PubChem (CID 16999879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).