6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-5-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[[4-[4-(furan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenoxy]hexanoic acid

C108H111N7O17 — CID 159166180

About 6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-5-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[[4-[4-(furan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenoxy]hexanoic acid

6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-5-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[[4-[4-(furan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenoxy]hexanoic acid (PubChem CID 159166180) has the molecular formula C108H111N7O17 and a molecular weight of 1779.11 g/mol. Its IUPAC name is 6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-5-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[[4-[4-(furan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenoxy]hexanoic acid.

Molecular Properties

• Compound Name: 6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-5-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[[4-[4-(furan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenoxy]hexanoic acid
• PubChem CID: 159166180
• Molecular Formula: C108H111N7O17
• Molecular Weight: 1779.11 g/mol
• Exact Mass: 1777.80
• IUPAC Name: 6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-5-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[[4-[4-(furan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenoxy]hexanoic acid
• SMILES: Cc1cn(Cc2ccc(-c3ccco3)cc2)c(-c2ccccc2OCCCCCC(=O)O)n1.Cc1cnc(-c2ccc(-c3ccco3)cc2)n1Cc1ccccc1OCCCCCC(=O)O.Cc1cnc(-c2ccccc2OCCCCCC(=O)O)n1Cc1ccc(-c2ccco2)cc1.Cc1onc(Cc2ccccc2OCCCCCC(=O)O)c1-c1ccc(-c2ccco2)cc1
• InChI: InChI=1S/3C27H28N2O4.C27H27NO5/c1-20-18-28-27(22-14-12-21(13-15-22)24-10-7-17-33-24)29(20)19-23-8-4-5-9-25(23)32-16-6-2-3-11-26(30)31;1-20-18-29(19-21-12-14-22(15-13-21)24-10-7-17-32-24)27(28-20)23-8-4-5-9-25(23)33-16-6-2-3-11-26(30)31;1-20-18-28-27(23-8-4-5-9-25(23)33-16-6-2-3-11-26(30)31)29(20)19-21-12-14-22(15-13-21)24-10-7-17-32-24;1-19-27(21-14-12-20(13-15-21)24-10-7-17-32-24)23(28-33-19)18-22-8-4-5-9-25(22)31-16-6-2-3-11-26(29)30/h3*4-5,7-10,12-15,17-18H,2-3,6,11,16,19H2,1H3,(H,30,31);4-5,7-10,12-15,17H,2-3,6,11,16,18H2,1H3,(H,29,30)
• InChIKey: KLCGURPBAIPERS-UHFFFAOYSA-N
• XLogP: 25.10
• TPSA: 318.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 44
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1779.11
LogP ≤ 5	25.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-5-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[[4-[4-(furan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenoxy]hexanoic acid?

The IUPAC name of 6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-5-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[[4-[4-(furan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenoxy]hexanoic acid (CID 159166180) is 6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-5-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[[4-[4-(furan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenoxy]hexanoic acid.

What is the SMILES notation for 6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-5-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[[4-[4-(furan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenoxy]hexanoic acid?

The canonical SMILES for 6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-5-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[[4-[4-(furan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenoxy]hexanoic acid is Cc1cn(Cc2ccc(-c3ccco3)cc2)c(-c2ccccc2OCCCCCC(=O)O)n1.Cc1cnc(-c2ccc(-c3ccco3)cc2)n1Cc1ccccc1OCCCCCC(=O)O.Cc1cnc(-c2ccccc2OCCCCCC(=O)O)n1Cc1ccc(-c2ccco2)cc1.Cc1onc(Cc2ccccc2OCCCCCC(=O)O)c1-c1ccc(-c2ccco2)cc1.

What is the InChIKey of 6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-5-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[[4-[4-(furan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenoxy]hexanoic acid?

The InChIKey is KLCGURPBAIPERS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C27H28N2O4.C27H27NO5/c1-20-18-28-27(22-14-12-21(13-15-22)24-10-7-17-33-24)29(20)19-23-8-4-5-9-25(23)32-16-6-2-3-11-26(30)31;1-20-18-29(19-21-12-14-22(15-13-21)24-10-7-17-32-24)27(28-20)23-8-4-5-9-25(23)33-16-6-2-3-11-26(30)31;1-20-18-28-27(23-8-4-5-9-25(23)33-16-6-2-3-11-26(30)31)29(20)19-21-12-14-22(15-13-21)24-10-7-17-32-24;1-19-27(21-14-12-20(13-15-21)24-10-7-17-32-24)23(28-33-19)18-22-8-4-5-9-25(22)31-16-6-2-3-11-26(29)30/h3*4-5,7-10,12-15,17-18H,2-3,6,11,16,19H2,1H3,(H,30,31);4-5,7-10,12-15,17H,2-3,6,11,16,18H2,1H3,(H,29,30).

What are the key properties of 6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-5-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[[4-[4-(furan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenoxy]hexanoic acid?

6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-5-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[[4-[4-(furan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenoxy]hexanoic acid has a molecular weight of 1779.11 g/mol, XLogP of 25.10, 44 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-4-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[1-[[4-(furan-2-yl)phenyl]methyl]-5-methylimidazol-2-yl]phenoxy]hexanoic acid;6-[2-[[4-[4-(furan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 159166180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).