4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid

C22H16N2O2 — CID 123739580

IUPAC4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1ccc(C=Cc2cccc(-n3cnc4ccccc43)c2)cc1
InChIInChI=1S/C22H16N2O2/c25-22(26)18-12-10-16(11-13-18)8-9-17-4-3-5-19(14-17)24-15-23-20-6-1-2-7-21(20)24/h1-15H,(H,25,26)
InChIKeyDTYZXZRWPZLCLI-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.89
Rot. Bonds4

About 4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid

4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid (PubChem CID 123739580) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid
PubChem CID123739580
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1ccc(C=Cc2cccc(-n3cnc4ccccc43)c2)cc1
InChIInChI=1S/C22H16N2O2/c25-22(26)18-12-10-16(11-13-18)8-9-17-4-3-5-19(14-17)24-15-23-20-6-1-2-7-21(20)24/h1-15H,(H,25,26)
InChIKeyDTYZXZRWPZLCLI-UHFFFAOYSA-N
XLogP4.89
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid 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

1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine
CID 130177862
1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole
CID 123638646
3-(3-chlorophenyl)benzimidazole-5-carboxylic acid
CID 82790283
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276
2-[3-(benzimidazol-1-yl)phenoxy]acetic acid
CID 82514442
3-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid
CID 67720414
3-[3-(benzimidazol-1-yl)phenyl]propanoic acid
CID 82514384
(E)-1-[3-(5-nitrobenzimidazol-1-yl)phenyl]-3-phenylprop-2-en-1-one
CID 171377685
4-(benzimidazol-1-yl)benzaldehyde
CID 737733
3-(4-oxoquinazolin-3-yl)benzoic acid
CID 7749421
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane
CID 89051577

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid?
The IUPAC name of 4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid (CID 123739580) is 4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid.
What is the SMILES notation for 4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid?
The canonical SMILES for 4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid is O=C(O)c1ccc(C=Cc2cccc(-n3cnc4ccccc43)c2)cc1.
What is the InChIKey of 4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid?
The InChIKey is DTYZXZRWPZLCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-22(26)18-12-10-16(11-13-18)8-9-17-4-3-5-19(14-17)24-15-23-20-6-1-2-7-21(20)24/h1-15H,(H,25,26).
What are the key properties of 4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid?
4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid has a molecular weight of 340.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid is sourced from PubChem (CID 123739580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).