6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline

C21H15F3N4 — CID 121358921

About 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline

6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline (PubChem CID 121358921) has the molecular formula C21H15F3N4 and a molecular weight of 380.37 g/mol. Its IUPAC name is 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline.

Molecular Properties

• Compound Name: 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
• PubChem CID: 121358921
• Molecular Formula: C21H15F3N4
• Molecular Weight: 380.37 g/mol
• Exact Mass: 380.12
• IUPAC Name: 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
• SMILES: FC(F)(F)c1cccc(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)c1
• InChI: InChI=1S/C21H15F3N4/c22-21(23,24)15-4-1-3-13(11-15)19-20(28-10-2-5-18(28)27-19)14-6-7-16-17(12-14)26-9-8-25-16/h1,3-4,6-9,11-12H,2,5,10H2
• InChIKey: DGESVVCJIJDNAH-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.37
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?

The IUPAC name of 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline (CID 121358921) is 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline.

What is the SMILES notation for 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?

The canonical SMILES for 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline is FC(F)(F)c1cccc(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)c1.

What is the InChIKey of 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?

The InChIKey is DGESVVCJIJDNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4/c22-21(23,24)15-4-1-3-13(11-15)19-20(28-10-2-5-18(28)27-19)14-6-7-16-17(12-14)26-9-8-25-16/h1,3-4,6-9,11-12H,2,5,10H2.

What are the key properties of 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?

6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline has a molecular weight of 380.37 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline is sourced from PubChem (CID 121358921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).