6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane

C23H20BrF2N3 — CID 123850292

About 6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane

6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane (PubChem CID 123850292) has the molecular formula C23H20BrF2N3 and a molecular weight of 456.33 g/mol. Its IUPAC name is 6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane.

Molecular Properties

• Compound Name: 6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane
• PubChem CID: 123850292
• Molecular Formula: C23H20BrF2N3
• Molecular Weight: 456.33 g/mol
• Exact Mass: 455.08
• IUPAC Name: 6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane
• SMILES: CN1CC2(CC2)CC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)[nH]1
• InChI: InChI=1S/C23H20BrF2N3/c1-29-12-22(6-7-22)10-20(29)21-27-11-19(28-21)13-2-4-15-16-5-3-14(24)9-18(16)23(25,26)17(15)8-13/h2-5,8-9,11,20H,6-7,10,12H2,1H3,(H,27,28)
• InChIKey: GNRSWVIWOCEQLB-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 31.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.33
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane?

The IUPAC name of 6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane (CID 123850292) is 6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane.

What is the SMILES notation for 6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane?

The canonical SMILES for 6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane is CN1CC2(CC2)CC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)[nH]1.

What is the InChIKey of 6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane?

The InChIKey is GNRSWVIWOCEQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrF2N3/c1-29-12-22(6-7-22)10-20(29)21-27-11-19(28-21)13-2-4-15-16-5-3-14(24)9-18(16)23(25,26)17(15)8-13/h2-5,8-9,11,20H,6-7,10,12H2,1H3,(H,27,28).

What are the key properties of 6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane?

6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane has a molecular weight of 456.33 g/mol, XLogP of 6.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane is sourced from PubChem (CID 123850292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).