2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide

C22H17F2N5O2 — CID 122312623

IUPAC2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
SMILESCc1nc(Oc2ccc(NC(=O)c3c(F)cccc3F)cc2)cc(-n2ccnc2C)n1
InChIInChI=1S/C22H17F2N5O2/c1-13-26-19(29-11-10-25-14(29)2)12-20(27-13)31-16-8-6-15(7-9-16)28-22(30)21-17(23)4-3-5-18(21)24/h3-12H,1-2H3,(H,28,30)
InChIKeyLZVQBNYBYOGVTB-UHFFFAOYSA-N
MW421.41 g/mol
LogP4.60
Rot. Bonds5

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

2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide (PubChem CID 122312623) has the molecular formula C22H17F2N5O2 and a molecular weight of 421.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
PubChem CID122312623
Molecular FormulaC22H17F2N5O2
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC Name2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
SMILESCc1nc(Oc2ccc(NC(=O)c3c(F)cccc3F)cc2)cc(-n2ccnc2C)n1
InChIInChI=1S/C22H17F2N5O2/c1-13-26-19(29-11-10-25-14(29)2)12-20(27-13)31-16-8-6-15(7-9-16)28-22(30)21-17(23)4-3-5-18(21)24/h3-12H,1-2H3,(H,28,30)
InChIKeyLZVQBNYBYOGVTB-UHFFFAOYSA-N
XLogP4.60
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide
CID 122312815
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
1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312694
2-(difluoromethylsulfanyl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312837
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
4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122312655
N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122312712
2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide
CID 122310357
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide
CID 122312778
2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122312650

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide (CID 122312623) is 2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide is Cc1nc(Oc2ccc(NC(=O)c3c(F)cccc3F)cc2)cc(-n2ccnc2C)n1.
What is the InChIKey of 2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
The InChIKey is LZVQBNYBYOGVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O2/c1-13-26-19(29-11-10-25-14(29)2)12-20(27-13)31-16-8-6-15(7-9-16)28-22(30)21-17(23)4-3-5-18(21)24/h3-12H,1-2H3,(H,28,30).
What are the key properties of 2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide?
2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide has a molecular weight of 421.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide is sourced from PubChem (CID 122312623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).