2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole

C18H20N2O — CID 7574428

IUPAC2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole
SMILESCC(C)CCn1c(/C=C/c2ccco2)nc2ccccc21
InChIInChI=1S/C18H20N2O/c1-14(2)11-12-20-17-8-4-3-7-16(17)19-18(20)10-9-15-6-5-13-21-15/h3-10,13-14H,11-12H2,1-2H3/b10-9+
InChIKeyXGERDWVIWWODFN-MDZDMXLPSA-N
MW280.37 g/mol
LogP4.85
Rot. Bonds5

About 2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole

2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole (PubChem CID 7574428) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole
PubChem CID7574428
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole
SMILESCC(C)CCn1c(/C=C/c2ccco2)nc2ccccc21
InChIInChI=1S/C18H20N2O/c1-14(2)11-12-20-17-8-4-3-7-16(17)19-18(20)10-9-15-6-5-13-21-15/h3-10,13-14H,11-12H2,1-2H3/b10-9+
InChIKeyXGERDWVIWWODFN-MDZDMXLPSA-N
XLogP4.85
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole
CID 16999879
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
2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole
CID 3162026
2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16999920
2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole
CID 6155001
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
CID 16999945
N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide
CID 17000002
2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole
CID 962248
1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole
CID 3723983
2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
CID 16999922
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
CID 16999939

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole?
The IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole (CID 7574428) is 2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole.
What is the SMILES notation for 2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole?
The canonical SMILES for 2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole is CC(C)CCn1c(/C=C/c2ccco2)nc2ccccc21.
What is the InChIKey of 2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole?
The InChIKey is XGERDWVIWWODFN-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14(2)11-12-20-17-8-4-3-7-16(17)19-18(20)10-9-15-6-5-13-21-15/h3-10,13-14H,11-12H2,1-2H3/b10-9+.
What are the key properties of 2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole?
2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole has a molecular weight of 280.37 g/mol, XLogP of 4.85, 5 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-(3-methylbutyl)benzimidazole is sourced from PubChem (CID 7574428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).