2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole

C21H18N2O — CID 6155001

IUPAC2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole
SMILESCc1ccc(Cn2c(/C=C/c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C21H18N2O/c1-16-8-10-17(11-9-16)15-23-20-7-3-2-6-19(20)22-21(23)13-12-18-5-4-14-24-18/h2-14H,15H2,1H3/b13-12+
InChIKeyRPKNACRNFMQMPD-OUKQBFOZSA-N
MW314.39 g/mol
LogP5.16
Rot. Bonds4

About 2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole

2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole (PubChem CID 6155001) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole
PubChem CID6155001
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole
SMILESCc1ccc(Cn2c(/C=C/c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C21H18N2O/c1-16-8-10-17(11-9-16)15-23-20-7-3-2-6-19(20)22-21(23)13-12-18-5-4-14-24-18/h2-14H,15H2,1H3/b13-12+
InChIKeyRPKNACRNFMQMPD-OUKQBFOZSA-N
XLogP5.16
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]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-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole
CID 3162026
2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole
CID 7574428
2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole
CID 16999879
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-[(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-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide
CID 17000002
2-[(E)-2-(furan-2-yl)ethenyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16999930
2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
CID 16999922
(E)-1-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 175670538

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole?
The IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole (CID 6155001) is 2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole is Cc1ccc(Cn2c(/C=C/c3ccco3)nc3ccccc32)cc1.
What is the InChIKey of 2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole?
The InChIKey is RPKNACRNFMQMPD-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H18N2O/c1-16-8-10-17(11-9-16)15-23-20-7-3-2-6-19(20)22-21(23)13-12-18-5-4-14-24-18/h2-14H,15H2,1H3/b13-12+.
What are the key properties of 2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole?
2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole has a molecular weight of 314.39 g/mol, XLogP of 5.16, 4 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-[(4-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 6155001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).