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

C20H14F3N3S — CID 121358920

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

6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole (PubChem CID 121358920) has the molecular formula C20H14F3N3S and a molecular weight of 385.41 g/mol. Its IUPAC name is 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
• PubChem CID: 121358920
• Molecular Formula: C20H14F3N3S
• Molecular Weight: 385.41 g/mol
• Exact Mass: 385.09
• IUPAC Name: 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
• SMILES: FC(F)(F)c1cccc(-c2nc3n(c2-c2ccc4ncsc4c2)CCC3)c1
• InChI: InChI=1S/C20H14F3N3S/c21-20(22,23)14-4-1-3-12(9-14)18-19(26-8-2-5-17(26)25-18)13-6-7-15-16(10-13)27-11-24-15/h1,3-4,6-7,9-11H,2,5,8H2
• InChIKey: ZNTKPRKOONTVHD-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.41
LogP ≤ 5	5.79
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]-1,3-benzothiazole?

The IUPAC name of 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole (CID 121358920) is 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole.

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

The canonical SMILES for 6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole is FC(F)(F)c1cccc(-c2nc3n(c2-c2ccc4ncsc4c2)CCC3)c1.

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

The InChIKey is ZNTKPRKOONTVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3S/c21-20(22,23)14-4-1-3-12(9-14)18-19(26-8-2-5-17(26)25-18)13-6-7-15-16(10-13)27-11-24-15/h1,3-4,6-7,9-11H,2,5,8H2.

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

6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole has a molecular weight of 385.41 g/mol, XLogP of 5.79, 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]-1,3-benzothiazole is sourced from PubChem (CID 121358920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).