N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide

C22H16F4N4O — CID 155091253

IUPACN-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c(C(F)(F)F)c1
InChIInChI=1S/C22H16F4N4O/c1-12-3-6-16(17(7-12)22(24,25)26)20(31)28-18-8-14(5-4-13(18)2)19-11-30-10-15(23)9-27-21(30)29-19/h3-11H,1-2H3,(H,28,31)
InChIKeyXEVDJVNBWYLKFM-UHFFFAOYSA-N
MW428.39 g/mol
LogP5.42
Rot. Bonds3

About N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide

N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide (PubChem CID 155091253) has the molecular formula C22H16F4N4O and a molecular weight of 428.39 g/mol. Its IUPAC name is N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide
PubChem CID155091253
Molecular FormulaC22H16F4N4O
Molecular Weight428.39 g/mol
Exact Mass428.13
IUPAC NameN-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c(C(F)(F)F)c1
InChIInChI=1S/C22H16F4N4O/c1-12-3-6-16(17(7-12)22(24,25)26)20(31)28-18-8-14(5-4-13(18)2)19-11-30-10-15(23)9-27-21(30)29-19/h3-11H,1-2H3,(H,28,31)
InChIKeyXEVDJVNBWYLKFM-UHFFFAOYSA-N
XLogP5.42
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.39
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide
CID 155091243
4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 177180623
2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide
CID 155091264
N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide
CID 177180645
4-[[[(2E)-3-[2-(2-aminoethoxy)ethoxy]-2-hydrazinylidenepropylidene]amino]methyl]-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 177180595
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035
2-chloro-4-fluoro-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121089949
N-[2-chloro-5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylacetamide
CID 169026641
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzamide
CID 121033061
5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 27536916
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(trifluoromethoxy)benzamide
CID 122285351
2-fluoro-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055633

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide (CID 155091253) is N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide is Cc1ccc(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c(C(F)(F)F)c1.
What is the InChIKey of N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide?
The InChIKey is XEVDJVNBWYLKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O/c1-12-3-6-16(17(7-12)22(24,25)26)20(31)28-18-8-14(5-4-13(18)2)19-11-30-10-15(23)9-27-21(30)29-19/h3-11H,1-2H3,(H,28,31).
What are the key properties of N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide?
N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide has a molecular weight of 428.39 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 155091253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).