3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide

C28H20ClF3N4O — CID 155517474

IUPAC3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(Cl)cc(-c2cnc3cnccn23)c1
InChIInChI=1S/C28H20ClF3N4O/c1-2-17-6-7-18(27(37)35-23-5-3-4-21(14-23)28(30,31)32)13-24(17)19-10-20(12-22(29)11-19)25-15-34-26-16-33-8-9-36(25)26/h3-16H,2H2,1H3,(H,35,37)
InChIKeyVNBCHEAYTLHULV-UHFFFAOYSA-N
MW520.94 g/mol
LogP7.55
Rot. Bonds5

About 3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide

3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 155517474) has the molecular formula C28H20ClF3N4O and a molecular weight of 520.94 g/mol. Its IUPAC name is 3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID155517474
Molecular FormulaC28H20ClF3N4O
Molecular Weight520.94 g/mol
Exact Mass520.13
IUPAC Name3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(Cl)cc(-c2cnc3cnccn23)c1
InChIInChI=1S/C28H20ClF3N4O/c1-2-17-6-7-18(27(37)35-23-5-3-4-21(14-23)28(30,31)32)13-24(17)19-10-20(12-22(29)11-19)25-15-34-26-16-33-8-9-36(25)26/h3-16H,2H2,1H3,(H,35,37)
InChIKeyVNBCHEAYTLHULV-UHFFFAOYSA-N
XLogP7.55
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.94
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 155517474) is 3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide is CCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(Cl)cc(-c2cnc3cnccn23)c1.
What is the InChIKey of 3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VNBCHEAYTLHULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClF3N4O/c1-2-17-6-7-18(27(37)35-23-5-3-4-21(14-23)28(30,31)32)13-24(17)19-10-20(12-22(29)11-19)25-15-34-26-16-33-8-9-36(25)26/h3-16H,2H2,1H3,(H,35,37).
What are the key properties of 3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide?
3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 520.94 g/mol, XLogP of 7.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-imidazo[1,2-a]pyrazin-3-ylphenyl)-4-ethyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 155517474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).