[5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate

C27H31N5O3 — CID 3422469

About [5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate

[5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate (PubChem CID 3422469) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is [5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate
• PubChem CID: 3422469
• Molecular Formula: C27H31N5O3
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.24
• IUPAC Name: [5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate
• SMILES: CC(=O)OCc1ccc(CN2CCC(c3nccn3Cc3nccn3Cc3ccccc3)CC2)o1
• InChI: InChI=1S/C27H31N5O3/c1-21(33)34-20-25-8-7-24(35-25)18-30-13-9-23(10-14-30)27-29-12-16-32(27)19-26-28-11-15-31(26)17-22-5-3-2-4-6-22/h2-8,11-12,15-16,23H,9-10,13-14,17-20H2,1H3
• InChIKey: CYULLKWJXCVJPC-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 78.32 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate?

The IUPAC name of [5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate (CID 3422469) is [5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate.

What is the SMILES notation for [5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate?

The canonical SMILES for [5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate is CC(=O)OCc1ccc(CN2CCC(c3nccn3Cc3nccn3Cc3ccccc3)CC2)o1.

What is the InChIKey of [5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate?

The InChIKey is CYULLKWJXCVJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-21(33)34-20-25-8-7-24(35-25)18-30-13-9-23(10-14-30)27-29-12-16-32(27)19-26-28-11-15-31(26)17-22-5-3-2-4-6-22/h2-8,11-12,15-16,23H,9-10,13-14,17-20H2,1H3.

What are the key properties of [5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate?

[5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate has a molecular weight of 473.58 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate is sourced from PubChem (CID 3422469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).