N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide

C28H23N5O3 — CID 122312815

IUPACN-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide
SMILESCc1nc(Oc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc(-n2ccnc2C)n1
InChIInChI=1S/C28H23N5O3/c1-19-30-26(33-17-16-29-20(33)2)18-27(31-19)36-25-14-10-22(11-15-25)32-28(34)21-8-12-24(13-9-21)35-23-6-4-3-5-7-23/h3-18H,1-2H3,(H,32,34)
InChIKeySAZULZHFWVOZIO-UHFFFAOYSA-N
MW477.52 g/mol
LogP6.12
Rot. Bonds7

About N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide

N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide (PubChem CID 122312815) has the molecular formula C28H23N5O3 and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide
PubChem CID122312815
Molecular FormulaC28H23N5O3
Molecular Weight477.52 g/mol
Exact Mass477.18
IUPAC NameN-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide
SMILESCc1nc(Oc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc(-n2ccnc2C)n1
InChIInChI=1S/C28H23N5O3/c1-19-30-26(33-17-16-29-20(33)2)18-27(31-19)36-25-14-10-22(11-15-25)32-28(34)21-8-12-24(13-9-21)35-23-6-4-3-5-7-23/h3-18H,1-2H3,(H,32,34)
InChIKeySAZULZHFWVOZIO-UHFFFAOYSA-N
XLogP6.12
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122306722
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-4-phenoxybenzamide
CID 122309414
2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312623
4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122312655
2-(difluoromethylsulfanyl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312837
1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea
CID 122312668
2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide
CID 122312781
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide
CID 122312789
1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122312948
N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122312712
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide
CID 122312778
4-fluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309974

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide?
The IUPAC name of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide (CID 122312815) is N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide?
The canonical SMILES for N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide is Cc1nc(Oc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc(-n2ccnc2C)n1.
What is the InChIKey of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide?
The InChIKey is SAZULZHFWVOZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O3/c1-19-30-26(33-17-16-29-20(33)2)18-27(31-19)36-25-14-10-22(11-15-25)32-28(34)21-8-12-24(13-9-21)35-23-6-4-3-5-7-23/h3-18H,1-2H3,(H,32,34).
What are the key properties of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide?
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide has a molecular weight of 477.52 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide is sourced from PubChem (CID 122312815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).