4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol

C22H18IN3O — CID 135434125

IUPAC4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol
SMILESCc1cc(-c2nc(-c3cccc(I)c3)c(-c3ccncc3)[nH]2)cc(C)c1O
InChIInChI=1S/C22H18IN3O/c1-13-10-17(11-14(2)21(13)27)22-25-19(15-6-8-24-9-7-15)20(26-22)16-4-3-5-18(23)12-16/h3-12,27H,1-2H3,(H,25,26)
InChIKeyINLHZGSQTLPZOP-UHFFFAOYSA-N
MW467.31 g/mol
LogP5.73
Rot. Bonds3

About 4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol

4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol (PubChem CID 135434125) has the molecular formula C22H18IN3O and a molecular weight of 467.31 g/mol. Its IUPAC name is 4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol
PubChem CID135434125
Molecular FormulaC22H18IN3O
Molecular Weight467.31 g/mol
Exact Mass467.05
IUPAC Name4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol
SMILESCc1cc(-c2nc(-c3cccc(I)c3)c(-c3ccncc3)[nH]2)cc(C)c1O
InChIInChI=1S/C22H18IN3O/c1-13-10-17(11-14(2)21(13)27)22-25-19(15-6-8-24-9-7-15)20(26-22)16-4-3-5-18(23)12-16/h3-12,27H,1-2H3,(H,25,26)
InChIKeyINLHZGSQTLPZOP-UHFFFAOYSA-N
XLogP5.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.31
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol?
The IUPAC name of 4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol (CID 135434125) is 4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol?
The canonical SMILES for 4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol is Cc1cc(-c2nc(-c3cccc(I)c3)c(-c3ccncc3)[nH]2)cc(C)c1O.
What is the InChIKey of 4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol?
The InChIKey is INLHZGSQTLPZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18IN3O/c1-13-10-17(11-14(2)21(13)27)22-25-19(15-6-8-24-9-7-15)20(26-22)16-4-3-5-18(23)12-16/h3-12,27H,1-2H3,(H,25,26).
What are the key properties of 4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol?
4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol has a molecular weight of 467.31 g/mol, XLogP of 5.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol is sourced from PubChem (CID 135434125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).