N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide

C24H23N5O3 — CID 122313922

IUPACN-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(Oc3cc(-n4cnc(C)c4C)ncn3)cc2)c1
InChIInChI=1S/C24H23N5O3/c1-16-5-4-6-21(11-16)31-13-23(30)28-19-7-9-20(10-8-19)32-24-12-22(25-14-26-24)29-15-27-17(2)18(29)3/h4-12,14-15H,13H2,1-3H3,(H,28,30)
InChIKeyONVBBKGSYCJTMO-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.40
Rot. Bonds7

About N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide

N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 122313922) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide
PubChem CID122313922
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(Oc3cc(-n4cnc(C)c4C)ncn3)cc2)c1
InChIInChI=1S/C24H23N5O3/c1-16-5-4-6-21(11-16)31-13-23(30)28-19-7-9-20(10-8-19)32-24-12-22(25-14-26-24)29-15-27-17(2)18(29)3/h4-12,14-15H,13H2,1-3H3,(H,28,30)
InChIKeyONVBBKGSYCJTMO-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-(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)-2-methylpyrimidin-4-yl]oxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 122313542
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide
CID 122314023
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122313875
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
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-propylthiadiazole-5-carboxamide
CID 122313894
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122313939
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide
CID 122314037
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide
CID 122306878

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide (CID 122313922) is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc(Oc3cc(-n4cnc(C)c4C)ncn3)cc2)c1.
What is the InChIKey of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is ONVBBKGSYCJTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-16-5-4-6-21(11-16)31-13-23(30)28-19-7-9-20(10-8-19)32-24-12-22(25-14-26-24)29-15-27-17(2)18(29)3/h4-12,14-15H,13H2,1-3H3,(H,28,30).
What are the key properties of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide?
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-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-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 122313922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).