6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole

C20H15ClFN3S — CID 121350167

About 6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole

6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole (PubChem CID 121350167) has the molecular formula C20H15ClFN3S and a molecular weight of 383.88 g/mol. Its IUPAC name is 6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
• PubChem CID: 121350167
• Molecular Formula: C20H15ClFN3S
• Molecular Weight: 383.88 g/mol
• Exact Mass: 383.07
• IUPAC Name: 6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
• SMILES: Cc1cc(-c2nc3n(c2-c2ccc4ncsc4c2)CCC3)c(Cl)cc1F
• InChI: InChI=1S/C20H15ClFN3S/c1-11-7-13(14(21)9-15(11)22)19-20(25-6-2-3-18(25)24-19)12-4-5-16-17(8-12)26-10-23-16/h4-5,7-10H,2-3,6H2,1H3
• InChIKey: QGOLYWGUGCFGRJ-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.88
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole?

The IUPAC name of 6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole (CID 121350167) is 6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole.

What is the SMILES notation for 6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole?

The canonical SMILES for 6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole is Cc1cc(-c2nc3n(c2-c2ccc4ncsc4c2)CCC3)c(Cl)cc1F.

What is the InChIKey of 6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole?

The InChIKey is QGOLYWGUGCFGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3S/c1-11-7-13(14(21)9-15(11)22)19-20(25-6-2-3-18(25)24-19)12-4-5-16-17(8-12)26-10-23-16/h4-5,7-10H,2-3,6H2,1H3.

What are the key properties of 6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole?

6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole has a molecular weight of 383.88 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 121350167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).