2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole

C25H26N2O2 — CID 16999930

IUPAC2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
SMILESCC(C)c1ccccc1OCCCn1c(/C=C/c2ccco2)nc2ccccc21
InChIInChI=1S/C25H26N2O2/c1-19(2)21-10-3-6-13-24(21)29-18-8-16-27-23-12-5-4-11-22(23)26-25(27)15-14-20-9-7-17-28-20/h3-7,9-15,17,19H,8,16,18H2,1-2H3/b15-14+
InChIKeyWJAWQBMUPHSSGB-CCEZHUSRSA-N
MW386.50 g/mol
LogP6.39
Rot. Bonds8

About 2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole

2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole (PubChem CID 16999930) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
PubChem CID16999930
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
SMILESCC(C)c1ccccc1OCCCn1c(/C=C/c2ccco2)nc2ccccc21
InChIInChI=1S/C25H26N2O2/c1-19(2)21-10-3-6-13-24(21)29-18-8-16-27-23-12-5-4-11-22(23)26-25(27)15-14-20-9-7-17-28-20/h3-7,9-15,17,19H,8,16,18H2,1-2H3/b15-14+
InChIKeyWJAWQBMUPHSSGB-CCEZHUSRSA-N
XLogP6.39
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-naphthalen-1-yloxyethyl)benzimidazole
CID 16999922
2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole
CID 7574428
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
CID 16999939
2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole
CID 16999879
2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16999920
1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole
CID 3723983
2-[2-(furan-2-yl)ethenyl]-1-methylbenzimidazole
CID 2871543
1-[4-(2-propan-2-ylphenoxy)butyl]-2-(trifluoromethyl)benzimidazole
CID 16996825
2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole
CID 3162026
2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole
CID 6155001
1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879223

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole (CID 16999930) is 2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole is CC(C)c1ccccc1OCCCn1c(/C=C/c2ccco2)nc2ccccc21.
What is the InChIKey of 2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole?
The InChIKey is WJAWQBMUPHSSGB-CCEZHUSRSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-19(2)21-10-3-6-13-24(21)29-18-8-16-27-23-12-5-4-11-22(23)26-25(27)15-14-20-9-7-17-28-20/h3-7,9-15,17,19H,8,16,18H2,1-2H3/b15-14+.
What are the key properties of 2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole?
2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole has a molecular weight of 386.50 g/mol, XLogP of 6.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 16999930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).