2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one

C23H30N4O2 — CID 72870215

About 2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one

2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72870215) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72870215
• Molecular Formula: C23H30N4O2
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.24
• IUPAC Name: 2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1ccccc1CC(=O)N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1
• InChI: InChI=1S/C23H30N4O2/c1-18-4-2-3-5-19(18)14-22(29)26-12-9-23(10-13-26)8-6-21(28)27(16-23)11-7-20-15-24-17-25-20/h2-5,15,17H,6-14,16H2,1H3,(H,24,25)
• InChIKey: WEBGMFLNJWFIHP-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72870215) is 2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1ccccc1CC(=O)N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1.

What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is WEBGMFLNJWFIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-4-2-3-5-19(18)14-22(29)26-12-9-23(10-13-26)8-6-21(28)27(16-23)11-7-20-15-24-17-25-20/h2-5,15,17H,6-14,16H2,1H3,(H,24,25).

What are the key properties of 2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?

2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 394.52 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72870215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).