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

C24H23N5O3 — CID 122312789

IUPACN-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Oc3cc(-n4ccnc4C)nc(C)n3)cc2)cc1
InChIInChI=1S/C24H23N5O3/c1-16-4-8-20(9-5-16)31-15-23(30)28-19-6-10-21(11-7-19)32-24-14-22(26-17(2)27-24)29-13-12-25-18(29)3/h4-14H,15H2,1-3H3,(H,28,30)
InChIKeyMVIVBARKSSSEDV-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.40
Rot. Bonds7

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

N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 122312789) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide
PubChem CID122312789
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Oc3cc(-n4ccnc4C)nc(C)n3)cc2)cc1
InChIInChI=1S/C24H23N5O3/c1-16-4-8-20(9-5-16)31-15-23(30)28-19-6-10-21(11-7-19)32-24-14-22(26-17(2)27-24)29-13-12-25-18(29)3/h4-14H,15H2,1-3H3,(H,28,30)
InChIKeyMVIVBARKSSSEDV-UHFFFAOYSA-N
XLogP4.40
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122312650
2-(4-methylphenoxy)-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122310144
1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea
CID 122312668
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide
CID 122312815
2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312623
2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122306698
N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122312712
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 122313542
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide
CID 122312778
1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312694
(E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide
CID 122312893
1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122312948

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide (CID 122312789) is N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(Oc3cc(-n4ccnc4C)nc(C)n3)cc2)cc1.
What is the InChIKey of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is MVIVBARKSSSEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-16-4-8-20(9-5-16)31-15-23(30)28-19-6-10-21(11-7-19)32-24-14-22(26-17(2)27-24)29-13-12-25-18(29)3/h4-14H,15H2,1-3H3,(H,28,30).
What are the key properties of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide?
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 429.48 g/mol, XLogP of 4.40, 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]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 122312789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).