6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline

C58H44F3N11S — CID 121350232

About 6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline

6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline (PubChem CID 121350232) has the molecular formula C58H44F3N11S and a molecular weight of 984.13 g/mol. Its IUPAC name is 6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline.

Molecular Properties

• Compound Name: 6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
• PubChem CID: 121350232
• Molecular Formula: C58H44F3N11S
• Molecular Weight: 984.13 g/mol
• Exact Mass: 983.35
• IUPAC Name: 6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
• SMILES: Fc1ccccc1-c1nc2n(c1-c1ccc3cn[nH]c3c1)CCC2.Fc1ccccc1-c1nc2n(c1-c1ccc3nccnc3c1)CCC2.Fc1ccccc1-c1nc2n(c1-c1ccc3ncsc3c1)CCC2
• InChI: InChI=1S/C20H15FN4.C19H15FN4.C19H14FN3S/c21-15-5-2-1-4-14(15)19-20(25-11-3-6-18(25)24-19)13-7-8-16-17(12-13)23-10-9-22-16;20-15-5-2-1-4-14(15)18-19(24-9-3-6-17(24)22-18)12-7-8-13-11-21-23-16(13)10-12;20-14-5-2-1-4-13(14)18-19(23-9-3-6-17(23)22-18)12-7-8-15-16(10-12)24-11-21-15/h1-2,4-5,7-10,12H,3,6,11H2;1-2,4-5,7-8,10-11H,3,6,9H2,(H,21,23);1-2,4-5,7-8,10-11H,3,6,9H2
• InChIKey: UPWHPKIDRKOOMR-UHFFFAOYSA-N
• XLogP: 13.34
• TPSA: 120.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	984.13
LogP ≤ 5	13.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline (CID 121350232) is 6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline.

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

The canonical SMILES for 6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline is Fc1ccccc1-c1nc2n(c1-c1ccc3cn[nH]c3c1)CCC2.Fc1ccccc1-c1nc2n(c1-c1ccc3nccnc3c1)CCC2.Fc1ccccc1-c1nc2n(c1-c1ccc3ncsc3c1)CCC2.

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

The InChIKey is UPWHPKIDRKOOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4.C19H15FN4.C19H14FN3S/c21-15-5-2-1-4-14(15)19-20(25-11-3-6-18(25)24-19)13-7-8-16-17(12-13)23-10-9-22-16;20-15-5-2-1-4-14(15)18-19(24-9-3-6-17(24)22-18)12-7-8-13-11-21-23-16(13)10-12;20-14-5-2-1-4-13(14)18-19(23-9-3-6-17(23)22-18)12-7-8-15-16(10-12)24-11-21-15/h1-2,4-5,7-10,12H,3,6,11H2;1-2,4-5,7-8,10-11H,3,6,9H2,(H,21,23);1-2,4-5,7-8,10-11H,3,6,9H2.

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

6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline has a molecular weight of 984.13 g/mol, XLogP of 13.34, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline is sourced from PubChem (CID 121350232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).