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

C28H41N5O3 — CID 118758146

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

8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 118758146) has the molecular formula C28H41N5O3 and a molecular weight of 495.67 g/mol. Its IUPAC name is 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 118758146
• Molecular Formula: C28H41N5O3
• Molecular Weight: 495.67 g/mol
• Exact Mass: 495.32
• IUPAC Name: 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CCCCc1ncc(CN2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCc2ccc(OC)cc2)[nH]1
• InChI: InChI=1S/C28H41N5O3/c1-5-6-7-25-29-18-23(30-25)20-31-16-13-28(14-17-31)26(34)32(19-21(2)3)27(35)33(28)15-12-22-8-10-24(36-4)11-9-22/h8-11,18,21H,5-7,12-17,19-20H2,1-4H3,(H,29,30)
• InChIKey: FRJZUAHPRRUNEV-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 81.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.67
LogP ≤ 5	4.26
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]-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 118758146) is 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

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

The canonical SMILES for 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCCc1ncc(CN2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCc2ccc(OC)cc2)[nH]1.

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

The InChIKey is FRJZUAHPRRUNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O3/c1-5-6-7-25-29-18-23(30-25)20-31-16-13-28(14-17-31)26(34)32(19-21(2)3)27(35)33(28)15-12-22-8-10-24(36-4)11-9-22/h8-11,18,21H,5-7,12-17,19-20H2,1-4H3,(H,29,30).

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

8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 495.67 g/mol, XLogP of 4.26, 11 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]-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 118758146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).