8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H33N5O3 — CID 26140769

About 8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26140769) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26140769
• Molecular Formula: C24H33N5O3
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.26
• IUPAC Name: 8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CCCCc1ncc(CN2CCC3(CC2)C(=O)N(Cc2ccc(OC)cc2)C(=O)N3C)[nH]1
• InChI: InChI=1S/C24H33N5O3/c1-4-5-6-21-25-15-19(26-21)17-28-13-11-24(12-14-28)22(30)29(23(31)27(24)2)16-18-7-9-20(32-3)10-8-18/h7-10,15H,4-6,11-14,16-17H2,1-3H3,(H,25,26)
• InChIKey: GYNHBAFSLIRKDJ-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 81.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26140769) is 8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCCc1ncc(CN2CCC3(CC2)C(=O)N(Cc2ccc(OC)cc2)C(=O)N3C)[nH]1.

What is the InChIKey of 8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is GYNHBAFSLIRKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-4-5-6-21-25-15-19(26-21)17-28-13-11-24(12-14-28)22(30)29(23(31)27(24)2)16-18-7-9-20(32-3)10-8-18/h7-10,15H,4-6,11-14,16-17H2,1-3H3,(H,25,26).

What are the key properties of 8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 439.56 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2-butyl-1H-imidazol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26140769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).