4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline

C23H23N3 — CID 139798138

IUPAC4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C=Cc2nc3c(ccc4ccccc43)[nH]2)cc1
InChIInChI=1S/C23H23N3/c1-3-26(4-2)19-13-9-17(10-14-19)11-16-22-24-21-15-12-18-7-5-6-8-20(18)23(21)25-22/h5-16H,3-4H2,1-2H3,(H,24,25)
InChIKeyWFRFWSZYDZVXAD-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.73
Rot. Bonds5

About 4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline

4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline (PubChem CID 139798138) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline
PubChem CID139798138
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C=Cc2nc3c(ccc4ccccc43)[nH]2)cc1
InChIInChI=1S/C23H23N3/c1-3-26(4-2)19-13-9-17(10-14-19)11-16-22-24-21-15-12-18-7-5-6-8-20(18)23(21)25-22/h5-16H,3-4H2,1-2H3,(H,24,25)
InChIKeyWFRFWSZYDZVXAD-UHFFFAOYSA-N
XLogP5.73
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline?
The IUPAC name of 4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline (CID 139798138) is 4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline is CCN(CC)c1ccc(C=Cc2nc3c(ccc4ccccc43)[nH]2)cc1.
What is the InChIKey of 4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline?
The InChIKey is WFRFWSZYDZVXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-3-26(4-2)19-13-9-17(10-14-19)11-16-22-24-21-15-12-18-7-5-6-8-20(18)23(21)25-22/h5-16H,3-4H2,1-2H3,(H,24,25).
What are the key properties of 4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline?
4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline has a molecular weight of 341.46 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3H-benzo[e]benzimidazol-2-yl)ethenyl]-N,N-diethylaniline is sourced from PubChem (CID 139798138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).