4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide

C27H24N6O4 — CID 122312828

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide
SMILESCc1nc(Oc2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)cc(-n2ccnc2C)n1
InChIInChI=1S/C27H24N6O4/c1-17-29-23(32-15-13-28-18(32)2)16-25(30-17)37-20-11-9-19(10-12-20)31-24(34)8-5-14-33-26(35)21-6-3-4-7-22(21)27(33)36/h3-4,6-7,9-13,15-16H,5,8,14H2,1-2H3,(H,31,34)
InChIKeyGGQJEFMZJJJPMX-UHFFFAOYSA-N
MW496.53 g/mol
LogP4.09
Rot. Bonds8

About 4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide (PubChem CID 122312828) has the molecular formula C27H24N6O4 and a molecular weight of 496.53 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide
PubChem CID122312828
Molecular FormulaC27H24N6O4
Molecular Weight496.53 g/mol
Exact Mass496.19
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide
SMILESCc1nc(Oc2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)cc(-n2ccnc2C)n1
InChIInChI=1S/C27H24N6O4/c1-17-29-23(32-15-13-28-18(32)2)16-25(30-17)37-20-11-9-19(10-12-20)31-24(34)8-5-14-33-26(35)21-6-3-4-7-22(21)27(33)36/h3-4,6-7,9-13,15-16H,5,8,14H2,1-2H3,(H,31,34)
InChIKeyGGQJEFMZJJJPMX-UHFFFAOYSA-N
XLogP4.09
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide
CID 122312789
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-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122312650
2-(difluoromethylsulfanyl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312837
4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
CID 122306357
1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122312948
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide
CID 122312781
N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122312712
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide
CID 122306542
4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122312655

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide (CID 122312828) is 4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide is Cc1nc(Oc2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)cc(-n2ccnc2C)n1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide?
The InChIKey is GGQJEFMZJJJPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O4/c1-17-29-23(32-15-13-28-18(32)2)16-25(30-17)37-20-11-9-19(10-12-20)31-24(34)8-5-14-33-26(35)21-6-3-4-7-22(21)27(33)36/h3-4,6-7,9-13,15-16H,5,8,14H2,1-2H3,(H,31,34).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide has a molecular weight of 496.53 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide is sourced from PubChem (CID 122312828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).