8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C21H27FN4O — CID 70744882

About 8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70744882) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 70744882
• Molecular Formula: C21H27FN4O
• Molecular Weight: 370.47 g/mol
• Exact Mass: 370.22
• IUPAC Name: 8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: O=C1CCC2(CCCN(Cc3ccc(F)cc3)C2)CN1CCc1cnc[nH]1
• InChI: InChI=1S/C21H27FN4O/c22-18-4-2-17(3-5-18)13-25-10-1-8-21(14-25)9-6-20(27)26(15-21)11-7-19-12-23-16-24-19/h2-5,12,16H,1,6-11,13-15H2,(H,23,24)
• InChIKey: LAYVMHJPPFFEMU-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.47
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70744882) is 8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(Cc3ccc(F)cc3)C2)CN1CCc1cnc[nH]1.

What is the InChIKey of 8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is LAYVMHJPPFFEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c22-18-4-2-17(3-5-18)13-25-10-1-8-21(14-25)9-6-20(27)26(15-21)11-7-19-12-23-16-24-19/h2-5,12,16H,1,6-11,13-15H2,(H,23,24).

What are the key properties of 8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?

8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 370.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70744882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).