N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide

C21H16IN5O2 — CID 122313331

IUPACN-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide
SMILESCc1nc(Oc2ccc(NC(=O)c3ccccc3I)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C21H16IN5O2/c1-14-24-19(27-11-10-23-13-27)12-20(25-14)29-16-8-6-15(7-9-16)26-21(28)17-4-2-3-5-18(17)22/h2-13H,1H3,(H,26,28)
InChIKeyUDNMTMBHXREGNB-UHFFFAOYSA-N
MW497.30 g/mol
LogP4.62
Rot. Bonds5

About N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide

N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide (PubChem CID 122313331) has the molecular formula C21H16IN5O2 and a molecular weight of 497.30 g/mol. Its IUPAC name is N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide
PubChem CID122313331
Molecular FormulaC21H16IN5O2
Molecular Weight497.30 g/mol
Exact Mass497.03
IUPAC NameN-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide
SMILESCc1nc(Oc2ccc(NC(=O)c3ccccc3I)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C21H16IN5O2/c1-14-24-19(27-11-10-23-13-27)12-20(25-14)29-16-8-6-15(7-9-16)26-21(28)17-4-2-3-5-18(17)22/h2-13H,1H3,(H,26,28)
InChIKeyUDNMTMBHXREGNB-UHFFFAOYSA-N
XLogP4.62
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.30
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122312969
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide
CID 122313018
4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122312986
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122313187
2-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309202
2-ethyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122312976
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide
CID 122313208
5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide
CID 122313019
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide
CID 122313181
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide
CID 122312977
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-thiophen-2-ylbenzamide
CID 122313238
5-(furan-2-yl)-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-3-carboxamide
CID 122313142

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide?
The IUPAC name of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide (CID 122313331) is N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide.
What is the SMILES notation for N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide?
The canonical SMILES for N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide is Cc1nc(Oc2ccc(NC(=O)c3ccccc3I)cc2)cc(-n2ccnc2)n1.
What is the InChIKey of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide?
The InChIKey is UDNMTMBHXREGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16IN5O2/c1-14-24-19(27-11-10-23-13-27)12-20(25-14)29-16-8-6-15(7-9-16)26-21(28)17-4-2-3-5-18(17)22/h2-13H,1H3,(H,26,28).
What are the key properties of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide?
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide has a molecular weight of 497.30 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide is sourced from PubChem (CID 122313331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).