2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one

C20H23ClN4O2 — CID 72841661

About 2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one

2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72841661) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 72841661
• Molecular Formula: C20H23ClN4O2
• Molecular Weight: 386.88 g/mol
• Exact Mass: 386.15
• IUPAC Name: 2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
• SMILES: O=C(Cn1ccnc1)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2
• InChI: InChI=1S/C20H23ClN4O2/c21-17-3-1-16(2-4-17)12-25-14-20(11-18(25)26)5-8-24(9-6-20)19(27)13-23-10-7-22-15-23/h1-4,7,10,15H,5-6,8-9,11-14H2
• InChIKey: ILEZJCMMKSTZCZ-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 58.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.88
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72841661) is 2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one is O=C(Cn1ccnc1)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2.

What is the InChIKey of 2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is ILEZJCMMKSTZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-17-3-1-16(2-4-17)12-25-14-20(11-18(25)26)5-8-24(9-6-20)19(27)13-23-10-7-22-15-23/h1-4,7,10,15H,5-6,8-9,11-14H2.

What are the key properties of 2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one?

2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 386.88 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72841661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).