2-[(1-ethylimidazol-2-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C22H29FN4O2 — CID 45236050

About 2-[(1-ethylimidazol-2-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

2-[(1-ethylimidazol-2-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45236050) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 2-[(1-ethylimidazol-2-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 45236050
• Molecular Formula: C22H29FN4O2
• Molecular Weight: 400.50 g/mol
• Exact Mass: 400.23
• IUPAC Name: 2-[(1-ethylimidazol-2-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• SMILES: CCn1ccnc1CN1CCC2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1
• InChI: InChI=1S/C22H29FN4O2/c1-3-26-12-9-24-20(26)15-25-11-8-22(16-25)7-4-10-27(21(22)28)14-17-13-18(29-2)5-6-19(17)23/h5-6,9,12-13H,3-4,7-8,10-11,14-16H2,1-2H3
• InChIKey: HAZXGSRKGXRAOD-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.50
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45236050) is 2-[(1-ethylimidazol-2-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is CCn1ccnc1CN1CCC2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1.

What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is HAZXGSRKGXRAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-3-26-12-9-24-20(26)15-25-11-8-22(16-25)7-4-10-27(21(22)28)14-17-13-18(29-2)5-6-19(17)23/h5-6,9,12-13H,3-4,7-8,10-11,14-16H2,1-2H3.

What are the key properties of 2-[(1-ethylimidazol-2-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

2-[(1-ethylimidazol-2-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 400.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-ethylimidazol-2-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45236050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).