4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline

C15H12ClN3 — CID 70681823

IUPAC4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C15H12ClN3/c16-11-4-7-13-14(9-11)19-15(18-13)8-3-10-1-5-12(17)6-2-10/h1-9H,17H2,(H,18,19)/b8-3+
InChIKeySNOPULLLOIIQHN-FPYGCLRLSA-N
MW269.74 g/mol
LogP3.97
Rot. Bonds2

About 4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline

4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline (PubChem CID 70681823) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline
PubChem CID70681823
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C15H12ClN3/c16-11-4-7-13-14(9-11)19-15(18-13)8-3-10-1-5-12(17)6-2-10/h1-9H,17H2,(H,18,19)/b8-3+
InChIKeySNOPULLLOIIQHN-FPYGCLRLSA-N
XLogP3.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline 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-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline (CID 70681823) is 4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline is Nc1ccc(/C=C/c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline?
The InChIKey is SNOPULLLOIIQHN-FPYGCLRLSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-11-4-7-13-14(9-11)19-15(18-13)8-3-10-1-5-12(17)6-2-10/h1-9H,17H2,(H,18,19)/b8-3+.
What are the key properties of 4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline?
4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline has a molecular weight of 269.74 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]aniline is sourced from PubChem (CID 70681823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).