4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline

C16H14IN3 — CID 73350446

IUPAC4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2nc3ccc(I)cc3[nH]2)cc1
InChIInChI=1S/C16H14IN3/c1-18-13-6-2-11(3-7-13)4-9-16-19-14-8-5-12(17)10-15(14)20-16/h2-10,18H,1H3,(H,19,20)/b9-4+
InChIKeyUACJAEPUZXTOBN-RUDMXATFSA-N
MW375.21 g/mol
LogP4.38
Rot. Bonds3

About 4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline

4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline (PubChem CID 73350446) has the molecular formula C16H14IN3 and a molecular weight of 375.21 g/mol. Its IUPAC name is 4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline
PubChem CID73350446
Molecular FormulaC16H14IN3
Molecular Weight375.21 g/mol
Exact Mass375.02
IUPAC Name4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2nc3ccc(I)cc3[nH]2)cc1
InChIInChI=1S/C16H14IN3/c1-18-13-6-2-11(3-7-13)4-9-16-19-14-8-5-12(17)10-15(14)20-16/h2-10,18H,1H3,(H,19,20)/b9-4+
InChIKeyUACJAEPUZXTOBN-RUDMXATFSA-N
XLogP4.38
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline 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

4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline
CID 77336502
6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 15422407
N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide
CID 59007879
6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane
CID 91356602
6-chloro-2-(2-phenylethenyl)-1H-benzimidazole
CID 73193180
4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline
CID 67167248
1,1,1-trifluoro-N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide
CID 59008020
2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole
CID 141198504
2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 6048083
2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole
CID 67164143
6-ethenyl-2-prop-1-enyl-1H-benzimidazole
CID 67635738
6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole
CID 67635734

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline?
The IUPAC name of 4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline (CID 73350446) is 4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2nc3ccc(I)cc3[nH]2)cc1.
What is the InChIKey of 4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline?
The InChIKey is UACJAEPUZXTOBN-RUDMXATFSA-N. The full InChI is InChI=1S/C16H14IN3/c1-18-13-6-2-11(3-7-13)4-9-16-19-14-8-5-12(17)10-15(14)20-16/h2-10,18H,1H3,(H,19,20)/b9-4+.
What are the key properties of 4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline?
4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline has a molecular weight of 375.21 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(6-iodo-1H-benzimidazol-2-yl)ethenyl]-N-methylaniline is sourced from PubChem (CID 73350446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).