N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide

C27H19F3N4O — CID 90031157

IUPACN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C27H19F3N4O/c1-17-14-19(18-6-9-21(10-7-18)27(28,29)30)8-11-23(17)25(35)32-22-5-2-4-20(15-22)24-16-34-13-3-12-31-26(34)33-24/h2-16H,1H3,(H,32,35)
InChIKeyXPJGLPOQENMXSM-UHFFFAOYSA-N
MW472.47 g/mol
LogP6.64
Rot. Bonds4

About N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 90031157) has the molecular formula C27H19F3N4O and a molecular weight of 472.47 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID90031157
Molecular FormulaC27H19F3N4O
Molecular Weight472.47 g/mol
Exact Mass472.15
IUPAC NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C27H19F3N4O/c1-17-14-19(18-6-9-21(10-7-18)27(28,29)30)8-11-23(17)25(35)32-22-5-2-4-20(15-22)24-16-34-13-3-12-31-26(34)33-24/h2-16H,1H3,(H,32,35)
InChIKeyXPJGLPOQENMXSM-UHFFFAOYSA-N
XLogP6.64
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide (CID 90031157) is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide is Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1.
What is the InChIKey of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XPJGLPOQENMXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N4O/c1-17-14-19(18-6-9-21(10-7-18)27(28,29)30)8-11-23(17)25(35)32-22-5-2-4-20(15-22)24-16-34-13-3-12-31-26(34)33-24/h2-16H,1H3,(H,32,35).
What are the key properties of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 472.47 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 90031157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).