4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline

C23H19I2N3 — CID 3106878

IUPAC4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(-c3cccc(I)c3)c(-c3cccc(I)c3)[nH]2)cc1
InChIInChI=1S/C23H19I2N3/c1-28(2)20-11-9-15(10-12-20)23-26-21(16-5-3-7-18(24)13-16)22(27-23)17-6-4-8-19(25)14-17/h3-14H,1-2H3,(H,26,27)
InChIKeyWVFLCFCWYOBVBV-UHFFFAOYSA-N
MW591.23 g/mol
LogP6.69
Rot. Bonds4

About 4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline

4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline (PubChem CID 3106878) has the molecular formula C23H19I2N3 and a molecular weight of 591.23 g/mol. Its IUPAC name is 4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline
PubChem CID3106878
Molecular FormulaC23H19I2N3
Molecular Weight591.23 g/mol
Exact Mass590.97
IUPAC Name4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(-c3cccc(I)c3)c(-c3cccc(I)c3)[nH]2)cc1
InChIInChI=1S/C23H19I2N3/c1-28(2)20-11-9-15(10-12-20)23-26-21(16-5-3-7-18(24)13-16)22(27-23)17-6-4-8-19(25)14-17/h3-14H,1-2H3,(H,26,27)
InChIKeyWVFLCFCWYOBVBV-UHFFFAOYSA-N
XLogP6.69
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.23
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline 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-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline (CID 3106878) is 4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nc(-c3cccc(I)c3)c(-c3cccc(I)c3)[nH]2)cc1.
What is the InChIKey of 4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline?
The InChIKey is WVFLCFCWYOBVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19I2N3/c1-28(2)20-11-9-15(10-12-20)23-26-21(16-5-3-7-18(24)13-16)22(27-23)17-6-4-8-19(25)14-17/h3-14H,1-2H3,(H,26,27).
What are the key properties of 4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline?
4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline has a molecular weight of 591.23 g/mol, XLogP of 6.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 3106878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).