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

C21H14F4N4O — CID 155091243

IUPACN-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2cn3cc(F)cnc3n2)cc1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H14F4N4O/c1-12-6-7-13(18-11-29-10-14(22)9-26-20(29)28-18)8-17(12)27-19(30)15-4-2-3-5-16(15)21(23,24)25/h2-11H,1H3,(H,27,30)
InChIKeyVWEFOFNFGFNXRB-UHFFFAOYSA-N
MW414.36 g/mol
LogP5.11
Rot. Bonds3

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

N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide (PubChem CID 155091243) has the molecular formula C21H14F4N4O and a molecular weight of 414.36 g/mol. Its IUPAC name is N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide
PubChem CID155091243
Molecular FormulaC21H14F4N4O
Molecular Weight414.36 g/mol
Exact Mass414.11
IUPAC NameN-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2cn3cc(F)cnc3n2)cc1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H14F4N4O/c1-12-6-7-13(18-11-29-10-14(22)9-26-20(29)28-18)8-17(12)27-19(30)15-4-2-3-5-16(15)21(23,24)25/h2-11H,1H3,(H,27,30)
InChIKeyVWEFOFNFGFNXRB-UHFFFAOYSA-N
XLogP5.11
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.36
LogP ≤ 55.11
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]-4-methyl-2-(trifluoromethyl)benzamide
CID 155091253
2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide
CID 155091264
4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 177180623
N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)-4-[(2,2,4-trimethylpentanoylamino)methyl]benzamide
CID 177180645
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 122323335
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035
2-fluoro-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055633
N-[2-chloro-5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylacetamide
CID 169026641
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 121089741
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-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide
CID 108796783
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-(trifluoromethoxy)benzamide
CID 122283607

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide (CID 155091243) is N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide is Cc1ccc(-c2cn3cc(F)cnc3n2)cc1NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is VWEFOFNFGFNXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O/c1-12-6-7-13(18-11-29-10-14(22)9-26-20(29)28-18)8-17(12)27-19(30)15-4-2-3-5-16(15)21(23,24)25/h2-11H,1H3,(H,27,30).
What are the key properties of N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide?
N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 414.36 g/mol, XLogP of 5.11, 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]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 155091243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).