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

C21H17ClFN3 — CID 160785048

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

5-[2-(5-chloro-4-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (PubChem CID 160785048) has the molecular formula C21H17ClFN3 and a molecular weight of 365.84 g/mol. Its IUPAC name is 5-[2-(5-chloro-4-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.

Molecular Properties

• Compound Name: 5-[2-(5-chloro-4-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
• PubChem CID: 160785048
• Molecular Formula: C21H17ClFN3
• Molecular Weight: 365.84 g/mol
• Exact Mass: 365.11
• IUPAC Name: 5-[2-(5-chloro-4-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
• SMILES: Cc1cc(F)c(Cl)cc1-c1nc2n(c1-c1ccc3c(c1)C=NC3)CCC2
• InChI: InChI=1S/C21H17ClFN3/c1-12-7-18(23)17(22)9-16(12)20-21(26-6-2-3-19(26)25-20)13-4-5-14-10-24-11-15(14)8-13/h4-5,7-9,11H,2-3,6,10H2,1H3
• InChIKey: SBCCFNJPTNXLAI-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 30.18 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	365.84
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 5-[2-(5-chloro-4-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (CID 160785048) is 5-[2-(5-chloro-4-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.

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

The canonical SMILES for 5-[2-(5-chloro-4-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is Cc1cc(F)c(Cl)cc1-c1nc2n(c1-c1ccc3c(c1)C=NC3)CCC2.

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

The InChIKey is SBCCFNJPTNXLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3/c1-12-7-18(23)17(22)9-16(12)20-21(26-6-2-3-19(26)25-20)13-4-5-14-10-24-11-15(14)8-13/h4-5,7-9,11H,2-3,6,10H2,1H3.

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

5-[2-(5-chloro-4-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole has a molecular weight of 365.84 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(5-chloro-4-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is sourced from PubChem (CID 160785048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).