4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide

C23H16F3N5O — CID 177180623

IUPAC4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESCc1cnc2nc(-c3ccc(C)c(NC(=O)c4ccc(C#N)cc4C(F)(F)F)c3)cn2c1
InChIInChI=1S/C23H16F3N5O/c1-13-10-28-22-30-20(12-31(22)11-13)16-5-3-14(2)19(8-16)29-21(32)17-6-4-15(9-27)7-18(17)23(24,25)26/h3-8,10-12H,1-2H3,(H,29,32)
InChIKeyVFUMCOZFVVCVRR-UHFFFAOYSA-N
MW435.41 g/mol
LogP5.16
Rot. Bonds3

About 4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide

4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 177180623) has the molecular formula C23H16F3N5O and a molecular weight of 435.41 g/mol. Its IUPAC name is 4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
PubChem CID177180623
Molecular FormulaC23H16F3N5O
Molecular Weight435.41 g/mol
Exact Mass435.13
IUPAC Name4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESCc1cnc2nc(-c3ccc(C)c(NC(=O)c4ccc(C#N)cc4C(F)(F)F)c3)cn2c1
InChIInChI=1S/C23H16F3N5O/c1-13-10-28-22-30-20(12-31(22)11-13)16-5-3-14(2)19(8-16)29-21(32)17-6-4-15(9-27)7-18(17)23(24,25)26/h3-8,10-12H,1-2H3,(H,29,32)
InChIKeyVFUMCOZFVVCVRR-UHFFFAOYSA-N
XLogP5.16
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.41
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-(trifluoromethyl)benzamide
CID 155091243
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
2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide
CID 155091264
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035
2-(3,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyrimidine
CID 177180602
4-cyano-N-methyl-2-(trifluoromethyl)benzamide
CID 58243803
3-cyano-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122283755
N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62059398
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(trifluoromethoxy)benzamide
CID 122285351
N-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 58230860

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide (CID 177180623) is 4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide is Cc1cnc2nc(-c3ccc(C)c(NC(=O)c4ccc(C#N)cc4C(F)(F)F)c3)cn2c1.
What is the InChIKey of 4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is VFUMCOZFVVCVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O/c1-13-10-28-22-30-20(12-31(22)11-13)16-5-3-14(2)19(8-16)29-21(32)17-6-4-15(9-27)7-18(17)23(24,25)26/h3-8,10-12H,1-2H3,(H,29,32).
What are the key properties of 4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide?
4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 435.41 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-methyl-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 177180623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).