1-benzyl-2-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-4H-imidazol-5-one;1-benzyl-2-[[4-(furan-2-yl)-1-phenylimidazol-2-yl]sulfanylmethyl]-4H-imidazol-5-one;4-benzyl-3-[2-[4-(4-hydroxythiophen-2-yl)-1-phenylimidazol-2-yl]-2-oxoethyl]-1H-1,2,4-triazol-5-one;3-[[1-(4-ethylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione;2-[3-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-1,2,4-triazol-4-yl]acetic acid

C118H103N23O10S5 — CID 159661928

About 1-benzyl-2-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-4H-imidazol-5-one;1-benzyl-2-[[4-(furan-2-yl)-1-phenylimidazol-2-yl]sulfanylmethyl]-4H-imidazol-5-one;4-benzyl-3-[2-[4-(4-hydroxythiophen-2-yl)-1-phenylimidazol-2-yl]-2-oxoethyl]-1H-1,2,4-triazol-5-one;3-[[1-(4-ethylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione;2-[3-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-1,2,4-triazol-4-yl]acetic acid

1-benzyl-2-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-4H-imidazol-5-one;1-benzyl-2-[[4-(furan-2-yl)-1-phenylimidazol-2-yl]sulfanylmethyl]-4H-imidazol-5-one;4-benzyl-3-[2-[4-(4-hydroxythiophen-2-yl)-1-phenylimidazol-2-yl]-2-oxoethyl]-1H-1,2,4-triazol-5-one;3-[[1-(4-ethylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione;2-[3-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-1,2,4-triazol-4-yl]acetic acid (PubChem CID 159661928) has the molecular formula C118H103N23O10S5 and a molecular weight of 2163.61 g/mol. Its IUPAC name is 1-benzyl-2-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-4H-imidazol-5-one;1-benzyl-2-[[4-(furan-2-yl)-1-phenylimidazol-2-yl]sulfanylmethyl]-4H-imidazol-5-one;4-benzyl-3-[2-[4-(4-hydroxythiophen-2-yl)-1-phenylimidazol-2-yl]-2-oxoethyl]-1H-1,2,4-triazol-5-one;3-[[1-(4-ethylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione;2-[3-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-1,2,4-triazol-4-yl]acetic acid.

Molecular Properties

• Compound Name: 1-benzyl-2-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-4H-imidazol-5-one;1-benzyl-2-[[4-(furan-2-yl)-1-phenylimidazol-2-yl]sulfanylmethyl]-4H-imidazol-5-one;4-benzyl-3-[2-[4-(4-hydroxythiophen-2-yl)-1-phenylimidazol-2-yl]-2-oxoethyl]-1H-1,2,4-triazol-5-one;3-[[1-(4-ethylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione;2-[3-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-1,2,4-triazol-4-yl]acetic acid
• PubChem CID: 159661928
• Molecular Formula: C118H103N23O10S5
• Molecular Weight: 2163.61 g/mol
• Exact Mass: 2161.69
• IUPAC Name: 1-benzyl-2-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-4H-imidazol-5-one;1-benzyl-2-[[4-(furan-2-yl)-1-phenylimidazol-2-yl]sulfanylmethyl]-4H-imidazol-5-one;4-benzyl-3-[2-[4-(4-hydroxythiophen-2-yl)-1-phenylimidazol-2-yl]-2-oxoethyl]-1H-1,2,4-triazol-5-one;3-[[1-(4-ethylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione;2-[3-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-1,2,4-triazol-4-yl]acetic acid
• SMILES: CCc1ccc(-n2cc(-c3cccs3)nc2SCc2n[nH]c(=S)n2Cc2ccc(C)cc2)cc1.O=C(Cc1n[nH]c(=O)n1Cc1ccccc1)c1nc(-c2cc(O)cs2)cn1-c1ccccc1.O=C(O)Cn1cnnc1CCc1nc(-c2ccco2)cn1-c1ccccc1.O=C1CN=C(CCc2nc(-c3ccco3)cn2-c2ccccc2)N1Cc1ccccc1.O=C1CN=C(CSc2nc(-c3ccco3)cn2-c2ccccc2)N1Cc1ccccc1
• InChI: InChI=1S/C26H25N5S3.C25H22N4O2.C24H19N5O3S.C24H20N4O2S.C19H17N5O3/c1-3-19-10-12-21(13-11-19)30-16-22(23-5-4-14-33-23)27-26(30)34-17-24-28-29-25(32)31(24)15-20-8-6-18(2)7-9-20;30-25-16-26-23(29(25)17-19-8-3-1-4-9-19)13-14-24-27-21(22-12-7-15-31-22)18-28(24)20-10-5-2-6-11-20;30-18-11-21(33-15-18)19-14-28(17-9-5-2-6-10-17)23(25-19)20(31)12-22-26-27-24(32)29(22)13-16-7-3-1-4-8-16;29-23-14-25-22(28(23)15-18-8-3-1-4-9-18)17-31-24-26-20(21-12-7-13-30-21)16-27(24)19-10-5-2-6-11-19;25-19(26)12-23-13-20-22-18(23)9-8-17-21-15(16-7-4-10-27-16)11-24(17)14-5-2-1-3-6-14/h4-14,16H,3,15,17H2,1-2H3,(H,29,32);1-12,15,18H,13-14,16-17H2;1-11,14-15,30H,12-13H2,(H,27,32);1-13,16H,14-15,17H2;1-7,10-11,13H,8-9,12H2,(H,25,26)
• InChIKey: MSXOFVHPBQQOJY-UHFFFAOYSA-N
• XLogP: 22.50
• TPSA: 383.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 36
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2163.61
LogP ≤ 5	22.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-4H-imidazol-5-one;1-benzyl-2-[[4-(furan-2-yl)-1-phenylimidazol-2-yl]sulfanylmethyl]-4H-imidazol-5-one;4-benzyl-3-[2-[4-(4-hydroxythiophen-2-yl)-1-phenylimidazol-2-yl]-2-oxoethyl]-1H-1,2,4-triazol-5-one;3-[[1-(4-ethylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione;2-[3-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-1,2,4-triazol-4-yl]acetic acid?

The IUPAC name of 1-benzyl-2-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-4H-imidazol-5-one;1-benzyl-2-[[4-(furan-2-yl)-1-phenylimidazol-2-yl]sulfanylmethyl]-4H-imidazol-5-one;4-benzyl-3-[2-[4-(4-hydroxythiophen-2-yl)-1-phenylimidazol-2-yl]-2-oxoethyl]-1H-1,2,4-triazol-5-one;3-[[1-(4-ethylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione;2-[3-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-1,2,4-triazol-4-yl]acetic acid (CID 159661928) is 1-benzyl-2-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-4H-imidazol-5-one;1-benzyl-2-[[4-(furan-2-yl)-1-phenylimidazol-2-yl]sulfanylmethyl]-4H-imidazol-5-one;4-benzyl-3-[2-[4-(4-hydroxythiophen-2-yl)-1-phenylimidazol-2-yl]-2-oxoethyl]-1H-1,2,4-triazol-5-one;3-[[1-(4-ethylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione;2-[3-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-1,2,4-triazol-4-yl]acetic acid.

What is the SMILES notation for 1-benzyl-2-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-4H-imidazol-5-one;1-benzyl-2-[[4-(furan-2-yl)-1-phenylimidazol-2-yl]sulfanylmethyl]-4H-imidazol-5-one;4-benzyl-3-[2-[4-(4-hydroxythiophen-2-yl)-1-phenylimidazol-2-yl]-2-oxoethyl]-1H-1,2,4-triazol-5-one;3-[[1-(4-ethylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione;2-[3-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-1,2,4-triazol-4-yl]acetic acid?

The canonical SMILES for 1-benzyl-2-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-4H-imidazol-5-one;1-benzyl-2-[[4-(furan-2-yl)-1-phenylimidazol-2-yl]sulfanylmethyl]-4H-imidazol-5-one;4-benzyl-3-[2-[4-(4-hydroxythiophen-2-yl)-1-phenylimidazol-2-yl]-2-oxoethyl]-1H-1,2,4-triazol-5-one;3-[[1-(4-ethylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione;2-[3-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-1,2,4-triazol-4-yl]acetic acid is CCc1ccc(-n2cc(-c3cccs3)nc2SCc2n[nH]c(=S)n2Cc2ccc(C)cc2)cc1.O=C(Cc1n[nH]c(=O)n1Cc1ccccc1)c1nc(-c2cc(O)cs2)cn1-c1ccccc1.O=C(O)Cn1cnnc1CCc1nc(-c2ccco2)cn1-c1ccccc1.O=C1CN=C(CCc2nc(-c3ccco3)cn2-c2ccccc2)N1Cc1ccccc1.O=C1CN=C(CSc2nc(-c3ccco3)cn2-c2ccccc2)N1Cc1ccccc1.

What is the InChIKey of 1-benzyl-2-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-4H-imidazol-5-one;1-benzyl-2-[[4-(furan-2-yl)-1-phenylimidazol-2-yl]sulfanylmethyl]-4H-imidazol-5-one;4-benzyl-3-[2-[4-(4-hydroxythiophen-2-yl)-1-phenylimidazol-2-yl]-2-oxoethyl]-1H-1,2,4-triazol-5-one;3-[[1-(4-ethylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione;2-[3-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-1,2,4-triazol-4-yl]acetic acid?

The InChIKey is MSXOFVHPBQQOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5S3.C25H22N4O2.C24H19N5O3S.C24H20N4O2S.C19H17N5O3/c1-3-19-10-12-21(13-11-19)30-16-22(23-5-4-14-33-23)27-26(30)34-17-24-28-29-25(32)31(24)15-20-8-6-18(2)7-9-20;30-25-16-26-23(29(25)17-19-8-3-1-4-9-19)13-14-24-27-21(22-12-7-15-31-22)18-28(24)20-10-5-2-6-11-20;30-18-11-21(33-15-18)19-14-28(17-9-5-2-6-10-17)23(25-19)20(31)12-22-26-27-24(32)29(22)13-16-7-3-1-4-8-16;29-23-14-25-22(28(23)15-18-8-3-1-4-9-18)17-31-24-26-20(21-12-7-13-30-21)16-27(24)19-10-5-2-6-11-19;25-19(26)12-23-13-20-22-18(23)9-8-17-21-15(16-7-4-10-27-16)11-24(17)14-5-2-1-3-6-14/h4-14,16H,3,15,17H2,1-2H3,(H,29,32);1-12,15,18H,13-14,16-17H2;1-11,14-15,30H,12-13H2,(H,27,32);1-13,16H,14-15,17H2;1-7,10-11,13H,8-9,12H2,(H,25,26).

What are the key properties of 1-benzyl-2-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-4H-imidazol-5-one;1-benzyl-2-[[4-(furan-2-yl)-1-phenylimidazol-2-yl]sulfanylmethyl]-4H-imidazol-5-one;4-benzyl-3-[2-[4-(4-hydroxythiophen-2-yl)-1-phenylimidazol-2-yl]-2-oxoethyl]-1H-1,2,4-triazol-5-one;3-[[1-(4-ethylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione;2-[3-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-1,2,4-triazol-4-yl]acetic acid?

1-benzyl-2-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-4H-imidazol-5-one;1-benzyl-2-[[4-(furan-2-yl)-1-phenylimidazol-2-yl]sulfanylmethyl]-4H-imidazol-5-one;4-benzyl-3-[2-[4-(4-hydroxythiophen-2-yl)-1-phenylimidazol-2-yl]-2-oxoethyl]-1H-1,2,4-triazol-5-one;3-[[1-(4-ethylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione;2-[3-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-1,2,4-triazol-4-yl]acetic acid has a molecular weight of 2163.61 g/mol, XLogP of 22.50, 36 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-2-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-4H-imidazol-5-one;1-benzyl-2-[[4-(furan-2-yl)-1-phenylimidazol-2-yl]sulfanylmethyl]-4H-imidazol-5-one;4-benzyl-3-[2-[4-(4-hydroxythiophen-2-yl)-1-phenylimidazol-2-yl]-2-oxoethyl]-1H-1,2,4-triazol-5-one;3-[[1-(4-ethylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione;2-[3-[2-[4-(furan-2-yl)-1-phenylimidazol-2-yl]ethyl]-1,2,4-triazol-4-yl]acetic acid is sourced from PubChem (CID 159661928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).