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

C20H15F3N4 — CID 121358918

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

6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole (PubChem CID 121358918) has the molecular formula C20H15F3N4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole.

Molecular Properties

• Compound Name: 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole
• PubChem CID: 121358918
• Molecular Formula: C20H15F3N4
• Molecular Weight: 368.36 g/mol
• Exact Mass: 368.12
• IUPAC Name: 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole
• SMILES: FC(F)(F)c1cccc(-c2nc3n(c2-c2ccc4cn[nH]c4c2)CCC3)c1
• InChI: InChI=1S/C20H15F3N4/c21-20(22,23)15-4-1-3-12(9-15)18-19(27-8-2-5-17(27)25-18)13-6-7-14-11-24-26-16(14)10-13/h1,3-4,6-7,9-11H,2,5,8H2,(H,24,26)
• InChIKey: FUWLDJJNLRKWTM-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.36
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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]-1H-indazole?

The IUPAC name of 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole (CID 121358918) is 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole.

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

The canonical SMILES for 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole is FC(F)(F)c1cccc(-c2nc3n(c2-c2ccc4cn[nH]c4c2)CCC3)c1.

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

The InChIKey is FUWLDJJNLRKWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4/c21-20(22,23)15-4-1-3-12(9-15)18-19(27-8-2-5-17(27)25-18)13-6-7-14-11-24-26-16(14)10-13/h1,3-4,6-7,9-11H,2,5,8H2,(H,24,26).

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

6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole has a molecular weight of 368.36 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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]-1H-indazole is sourced from PubChem (CID 121358918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).