N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide

C22H18IN5O2 — CID 122314087

IUPACN-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide
SMILESCc1ncn(-c2cc(Oc3ccc(NC(=O)c4ccccc4I)cc3)ncn2)c1C
InChIInChI=1S/C22H18IN5O2/c1-14-15(2)28(13-26-14)20-11-21(25-12-24-20)30-17-9-7-16(8-10-17)27-22(29)18-5-3-4-6-19(18)23/h3-13H,1-2H3,(H,27,29)
InChIKeyCJLZIROHAYCSJL-UHFFFAOYSA-N
MW511.32 g/mol
LogP4.93
Rot. Bonds5

About N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide

N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide (PubChem CID 122314087) has the molecular formula C22H18IN5O2 and a molecular weight of 511.32 g/mol. Its IUPAC name is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide
PubChem CID122314087
Molecular FormulaC22H18IN5O2
Molecular Weight511.32 g/mol
Exact Mass511.05
IUPAC NameN-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide
SMILESCc1ncn(-c2cc(Oc3ccc(NC(=O)c4ccccc4I)cc3)ncn2)c1C
InChIInChI=1S/C22H18IN5O2/c1-14-15(2)28(13-26-14)20-11-21(25-12-24-20)30-17-9-7-16(8-10-17)27-22(29)18-5-3-4-6-19(18)23/h3-13H,1-2H3,(H,27,29)
InChIKeyCJLZIROHAYCSJL-UHFFFAOYSA-N
XLogP4.93
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.32
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide 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

2-iodo-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312575
4-cyano-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122313953
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-ethoxynaphthalene-1-carboxamide
CID 122313915
2-bromo-N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]benzamide
CID 122313706
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122313875
2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311091
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide
CID 122313922
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-nitrofuran-2-carboxamide
CID 122313887
2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122313780
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-propylthiadiazole-5-carboxamide
CID 122313894
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312242
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122313939

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide?
The IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide (CID 122314087) is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide.
What is the SMILES notation for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide?
The canonical SMILES for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide is Cc1ncn(-c2cc(Oc3ccc(NC(=O)c4ccccc4I)cc3)ncn2)c1C.
What is the InChIKey of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide?
The InChIKey is CJLZIROHAYCSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18IN5O2/c1-14-15(2)28(13-26-14)20-11-21(25-12-24-20)30-17-9-7-16(8-10-17)27-22(29)18-5-3-4-6-19(18)23/h3-13H,1-2H3,(H,27,29).
What are the key properties of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide?
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide has a molecular weight of 511.32 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide is sourced from PubChem (CID 122314087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).