2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline

C22H19F3N4 — CID 165414867

IUPAC2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline
SMILESCc1nc2ccccc2nc1CCc1nc(-c2ccccc2)cn1CC(F)(F)F
InChIInChI=1S/C22H19F3N4/c1-15-17(27-19-10-6-5-9-18(19)26-15)11-12-21-28-20(16-7-3-2-4-8-16)13-29(21)14-22(23,24)25/h2-10,13H,11-12,14H2,1H3
InChIKeyNGLPIJZPFRYKQZ-UHFFFAOYSA-N
MW396.42 g/mol
LogP5.15
Rot. Bonds5

About 2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline

2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline (PubChem CID 165414867) has the molecular formula C22H19F3N4 and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline.

Molecular Properties

Compound Name2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline
PubChem CID165414867
Molecular FormulaC22H19F3N4
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline
SMILESCc1nc2ccccc2nc1CCc1nc(-c2ccccc2)cn1CC(F)(F)F
InChIInChI=1S/C22H19F3N4/c1-15-17(27-19-10-6-5-9-18(19)26-15)11-12-21-28-20(16-7-3-2-4-8-16)13-29(21)14-22(23,24)25/h2-10,13H,11-12,14H2,1H3
InChIKeyNGLPIJZPFRYKQZ-UHFFFAOYSA-N
XLogP5.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.42
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline?
The IUPAC name of 2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline (CID 165414867) is 2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline.
What is the SMILES notation for 2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline?
The canonical SMILES for 2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline is Cc1nc2ccccc2nc1CCc1nc(-c2ccccc2)cn1CC(F)(F)F.
What is the InChIKey of 2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline?
The InChIKey is NGLPIJZPFRYKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4/c1-15-17(27-19-10-6-5-9-18(19)26-15)11-12-21-28-20(16-7-3-2-4-8-16)13-29(21)14-22(23,24)25/h2-10,13H,11-12,14H2,1H3.
What are the key properties of 2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline?
2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline has a molecular weight of 396.42 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline is sourced from PubChem (CID 165414867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).