4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxobutyl)pyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxopentyl)pyrrolidin-3-one;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetamide;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetic acid;1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol

C115H119N17O21 — CID 158656719

About 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxobutyl)pyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxopentyl)pyrrolidin-3-one;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetamide;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetic acid;1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol

4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxobutyl)pyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxopentyl)pyrrolidin-3-one;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetamide;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetic acid;1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol (PubChem CID 158656719) has the molecular formula C115H119N17O21 and a molecular weight of 2075.31 g/mol. Its IUPAC name is 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxobutyl)pyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxopentyl)pyrrolidin-3-one;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetamide;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetic acid;1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol.

Molecular Properties

• Compound Name: 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxobutyl)pyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxopentyl)pyrrolidin-3-one;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetamide;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetic acid;1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
• PubChem CID: 158656719
• Molecular Formula: C115H119N17O21
• Molecular Weight: 2075.31 g/mol
• Exact Mass: 2073.88
• IUPAC Name: 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxobutyl)pyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxopentyl)pyrrolidin-3-one;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetamide;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetic acid;1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
• SMILES: [H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CC(=O)CC)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CC(=O)CCC)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CC(=O)O)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CC(N)=O)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(c2nc3ccccc3n2C)=C(O)C(CCO)N1c1cc(OC)cc(OC)c1
• InChI: InChI=1S/C25H27N3O4.C24H25N3O4.C22H24N4O4.C22H22N4O4.C22H21N3O5/c1-4-7-17(29)13-22-24(30)23(21-10-15-8-5-6-9-20(15)27-21)25(26)28(22)16-11-18(31-2)14-19(12-16)32-3;1-4-16(28)12-21-23(29)22(20-9-14-7-5-6-8-19(14)26-20)24(25)27(21)15-10-17(30-2)13-18(11-15)31-3;1-25-17-7-5-4-6-16(17)24-22(25)19-20(28)18(8-9-27)26(21(19)23)13-10-14(29-2)12-15(11-13)30-3;1-29-14-8-13(9-15(10-14)30-2)26-18(11-19(23)27)21(28)20(22(26)24)17-7-12-5-3-4-6-16(12)25-17;1-29-14-8-13(9-15(10-14)30-2)25-18(11-19(26)27)21(28)20(22(25)23)17-7-12-5-3-4-6-16(12)24-17/h5-6,8-9,11-12,14,22,26-27H,4,7,10,13H2,1-3H3;5-8,10-11,13,21,25-26H,4,9,12H2,1-3H3;4-7,10-12,18,23,27-28H,8-9H2,1-3H3;3-6,8-10,18,24-25H,7,11H2,1-2H3,(H2,23,27);3-6,8-10,18,23-24H,7,11H2,1-2H3,(H,26,27)/b23-21?,26-25-;22-20?,25-24-;23-21-;20-17?,24-22-;20-17?,23-22-
• InChIKey: DOMCJIMBLILAFS-VOYISDAASA-N
• XLogP: 16.03
• TPSA: 516.96 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 29
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2075.31
LogP ≤ 5	16.03
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxobutyl)pyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxopentyl)pyrrolidin-3-one;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetamide;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetic acid;1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?

The IUPAC name of 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxobutyl)pyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxopentyl)pyrrolidin-3-one;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetamide;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetic acid;1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol (CID 158656719) is 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxobutyl)pyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxopentyl)pyrrolidin-3-one;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetamide;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetic acid;1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol.

What is the SMILES notation for 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxobutyl)pyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxopentyl)pyrrolidin-3-one;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetamide;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetic acid;1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?

The canonical SMILES for 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxobutyl)pyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxopentyl)pyrrolidin-3-one;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetamide;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetic acid;1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol is [H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CC(=O)CC)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CC(=O)CCC)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CC(=O)O)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CC(N)=O)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(c2nc3ccccc3n2C)=C(O)C(CCO)N1c1cc(OC)cc(OC)c1.

What is the InChIKey of 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxobutyl)pyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxopentyl)pyrrolidin-3-one;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetamide;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetic acid;1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?

The InChIKey is DOMCJIMBLILAFS-VOYISDAASA-N. The full InChI is InChI=1S/C25H27N3O4.C24H25N3O4.C22H24N4O4.C22H22N4O4.C22H21N3O5/c1-4-7-17(29)13-22-24(30)23(21-10-15-8-5-6-9-20(15)27-21)25(26)28(22)16-11-18(31-2)14-19(12-16)32-3;1-4-16(28)12-21-23(29)22(20-9-14-7-5-6-8-19(14)26-20)24(25)27(21)15-10-17(30-2)13-18(11-15)31-3;1-25-17-7-5-4-6-16(17)24-22(25)19-20(28)18(8-9-27)26(21(19)23)13-10-14(29-2)12-15(11-13)30-3;1-29-14-8-13(9-15(10-14)30-2)26-18(11-19(23)27)21(28)20(22(26)24)17-7-12-5-3-4-6-16(12)25-17;1-29-14-8-13(9-15(10-14)30-2)25-18(11-19(26)27)21(28)20(22(25)23)17-7-12-5-3-4-6-16(12)24-17/h5-6,8-9,11-12,14,22,26-27H,4,7,10,13H2,1-3H3;5-8,10-11,13,21,25-26H,4,9,12H2,1-3H3;4-7,10-12,18,23,27-28H,8-9H2,1-3H3;3-6,8-10,18,24-25H,7,11H2,1-2H3,(H2,23,27);3-6,8-10,18,23-24H,7,11H2,1-2H3,(H,26,27)/b23-21?,26-25-;22-20?,25-24-;23-21-;20-17?,24-22-;20-17?,23-22-.

What are the key properties of 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxobutyl)pyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxopentyl)pyrrolidin-3-one;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetamide;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetic acid;1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?

4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxobutyl)pyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxopentyl)pyrrolidin-3-one;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetamide;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetic acid;1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol has a molecular weight of 2075.31 g/mol, XLogP of 16.03, 29 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxobutyl)pyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-oxopentyl)pyrrolidin-3-one;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetamide;2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]acetic acid;1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol is sourced from PubChem (CID 158656719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).