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'}

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Related Compounds

4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline
CID 3106619
2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
CID 135398995
2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 3112521
bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
CID 3106847
4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol
CID 135434125
N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline
CID 712255
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
N,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline
CID 11234693
2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one
CID 1346375
4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 3123820
2-(4-methylphenyl)-4-naphthalen-2-yl-5-phenyl-1H-imidazole;hydrochloride
CID 146051305

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).