(5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carbaldehyde

C100H95N19O24 — CID 157060586

About (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carbaldehyde

(5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carbaldehyde (PubChem CID 157060586) has the molecular formula C100H95N19O24 and a molecular weight of 1946.97 g/mol. Its IUPAC name is (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carbaldehyde.

Molecular Properties

• Compound Name: (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carbaldehyde
• PubChem CID: 157060586
• Molecular Formula: C100H95N19O24
• Molecular Weight: 1946.97 g/mol
• Exact Mass: 1945.68
• IUPAC Name: (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carbaldehyde
• SMILES: CCN1CCN(C(=NO)c2ccc3oc([C@]4(CN5Cc6ccc(OC)cc6C5=O)NC(=O)NC4=O)cc3c2)CC1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C(C)=O)nccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C(=NO)N5CCCN(C)CC5)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C=O)ccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/2C28H30N6O6.C22H18N4O6.C22H17N3O6/c1-32-8-3-9-33(11-10-32)24(31-38)17-5-7-22-19(12-17)13-23(40-22)28(26(36)29-27(37)30-28)16-34-15-18-4-6-20(39-2)14-21(18)25(34)35;1-3-32-8-10-33(11-9-32)24(31-38)17-5-7-22-19(12-17)13-23(40-22)28(26(36)29-27(37)30-28)16-34-15-18-4-6-20(39-2)14-21(18)25(34)35;1-11(27)18-15-8-17(32-16(15)5-6-23-18)22(20(29)24-21(30)25-22)10-26-9-12-3-4-13(31-2)7-14(12)19(26)28;1-30-15-4-3-13-9-25(19(27)16(13)8-15)11-22(20(28)23-21(29)24-22)18-7-14-6-12(10-26)2-5-17(14)31-18/h2*4-7,12-14,38H,3,8-11,15-16H2,1-2H3,(H2,29,30,36,37);3-8H,9-10H2,1-2H3,(H2,24,25,29,30);2-8,10H,9,11H2,1H3,(H2,23,24,28,29)/t2*28-;2*22-/m0000/s1
• InChIKey: ABHDASHZVIFMIF-CHADSXCESA-N
• XLogP: 7.49
• TPSA: 528.69 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1946.97
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carbaldehyde?

The IUPAC name of (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carbaldehyde (CID 157060586) is (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carbaldehyde.

What is the SMILES notation for (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carbaldehyde?

The canonical SMILES for (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carbaldehyde is CCN1CCN(C(=NO)c2ccc3oc([C@]4(CN5Cc6ccc(OC)cc6C5=O)NC(=O)NC4=O)cc3c2)CC1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C(C)=O)nccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C(=NO)N5CCCN(C)CC5)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C=O)ccc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carbaldehyde?

The InChIKey is ABHDASHZVIFMIF-CHADSXCESA-N. The full InChI is InChI=1S/2C28H30N6O6.C22H18N4O6.C22H17N3O6/c1-32-8-3-9-33(11-10-32)24(31-38)17-5-7-22-19(12-17)13-23(40-22)28(26(36)29-27(37)30-28)16-34-15-18-4-6-20(39-2)14-21(18)25(34)35;1-3-32-8-10-33(11-9-32)24(31-38)17-5-7-22-19(12-17)13-23(40-22)28(26(36)29-27(37)30-28)16-34-15-18-4-6-20(39-2)14-21(18)25(34)35;1-11(27)18-15-8-17(32-16(15)5-6-23-18)22(20(29)24-21(30)25-22)10-26-9-12-3-4-13(31-2)7-14(12)19(26)28;1-30-15-4-3-13-9-25(19(27)16(13)8-15)11-22(20(28)23-21(29)24-22)18-7-14-6-12(10-26)2-5-17(14)31-18/h2*4-7,12-14,38H,3,8-11,15-16H2,1-2H3,(H2,29,30,36,37);3-8H,9-10H2,1-2H3,(H2,24,25,29,30);2-8,10H,9,11H2,1H3,(H2,23,24,28,29)/t2*28-;2*22-/m0000/s1.

What are the key properties of (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carbaldehyde?

(5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carbaldehyde has a molecular weight of 1946.97 g/mol, XLogP of 7.49, 21 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(4-acetylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-[N-hydroxy-C-(4-methyl-1,4-diazepan-1-yl)carbonimidoyl]-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 157060586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).