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

C58H44Cl3N11S — CID 121350314

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

6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline (PubChem CID 121350314) has the molecular formula C58H44Cl3N11S and a molecular weight of 1033.49 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline.

Molecular Properties

• Compound Name: 6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
• PubChem CID: 121350314
• Molecular Formula: C58H44Cl3N11S
• Molecular Weight: 1033.49 g/mol
• Exact Mass: 1031.26
• IUPAC Name: 6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
• SMILES: Clc1cccc(-c2nc3n(c2-c2ccc4cn[nH]c4c2)CCC3)c1.Clc1cccc(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)c1.Clc1cccc(-c2nc3n(c2-c2ccc4ncsc4c2)CCC3)c1
• InChI: InChI=1S/C20H15ClN4.C19H15ClN4.C19H14ClN3S/c21-15-4-1-3-13(11-15)19-20(25-10-2-5-18(25)24-19)14-6-7-16-17(12-14)23-9-8-22-16;20-15-4-1-3-12(9-15)18-19(24-8-2-5-17(24)22-18)13-6-7-14-11-21-23-16(14)10-13;20-14-4-1-3-12(9-14)18-19(23-8-2-5-17(23)22-18)13-6-7-15-16(10-13)24-11-21-15/h1,3-4,6-9,11-12H,2,5,10H2;1,3-4,6-7,9-11H,2,5,8H2,(H,21,23);1,3-4,6-7,9-11H,2,5,8H2
• InChIKey: DJKVXKXYWHOOPP-UHFFFAOYSA-N
• XLogP: 14.88
• 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	1033.49
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline (CID 121350314) is 6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline.

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

The canonical SMILES for 6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline is Clc1cccc(-c2nc3n(c2-c2ccc4cn[nH]c4c2)CCC3)c1.Clc1cccc(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)c1.Clc1cccc(-c2nc3n(c2-c2ccc4ncsc4c2)CCC3)c1.

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

The InChIKey is DJKVXKXYWHOOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4.C19H15ClN4.C19H14ClN3S/c21-15-4-1-3-13(11-15)19-20(25-10-2-5-18(25)24-19)14-6-7-16-17(12-14)23-9-8-22-16;20-15-4-1-3-12(9-15)18-19(24-8-2-5-17(24)22-18)13-6-7-14-11-21-23-16(14)10-13;20-14-4-1-3-12(9-14)18-19(23-8-2-5-17(23)22-18)13-6-7-15-16(10-13)24-11-21-15/h1,3-4,6-9,11-12H,2,5,10H2;1,3-4,6-7,9-11H,2,5,8H2,(H,21,23);1,3-4,6-7,9-11H,2,5,8H2.

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

6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline has a molecular weight of 1033.49 g/mol, XLogP of 14.88, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline is sourced from PubChem (CID 121350314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).