5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen

C21H21FN4 — CID 145086204

About 5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen

5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen (PubChem CID 145086204) has the molecular formula C21H21FN4 and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen.

Molecular Properties

• Compound Name: 5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen
• PubChem CID: 145086204
• Molecular Formula: C21H21FN4
• Molecular Weight: 348.43 g/mol
• Exact Mass: 348.18
• IUPAC Name: 5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen
• SMILES: Cc1c(F)ccc(-c2nc3n(c2-c2ccc4[nH]ncc4c2)CCC3)c1C.[H][H]
• InChI: InChI=1S/C21H19FN4.H2/c1-12-13(2)17(22)7-6-16(12)20-21(26-9-3-4-19(26)24-20)14-5-8-18-15(10-14)11-23-25-18;/h5-8,10-11H,3-4,9H2,1-2H3,(H,23,25);1H
• InChIKey: HPFTXKASFUSFBG-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	348.43
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen?

The IUPAC name of 5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen (CID 145086204) is 5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen.

What is the SMILES notation for 5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen?

The canonical SMILES for 5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen is Cc1c(F)ccc(-c2nc3n(c2-c2ccc4[nH]ncc4c2)CCC3)c1C.[H][H].

What is the InChIKey of 5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen?

The InChIKey is HPFTXKASFUSFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4.H2/c1-12-13(2)17(22)7-6-16(12)20-21(26-9-3-4-19(26)24-20)14-5-8-18-15(10-14)11-23-25-18;/h5-8,10-11H,3-4,9H2,1-2H3,(H,23,25);1H.

What are the key properties of 5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen?

5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen has a molecular weight of 348.43 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen is sourced from PubChem (CID 145086204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).