4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(ethylamino)-2H-pyrrol-3-one;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,2-dimethylpyrrol-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-propan-2-yliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-3-hydroxy-5-imino-2H-pyrrole-4-carboxamide

C107H121N17O17 — CID 157217378

About 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(ethylamino)-2H-pyrrol-3-one;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,2-dimethylpyrrol-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-propan-2-yliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-3-hydroxy-5-imino-2H-pyrrole-4-carboxamide

4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(ethylamino)-2H-pyrrol-3-one;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,2-dimethylpyrrol-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-propan-2-yliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-3-hydroxy-5-imino-2H-pyrrole-4-carboxamide (PubChem CID 157217378) has the molecular formula C107H121N17O17 and a molecular weight of 1917.25 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(ethylamino)-2H-pyrrol-3-one;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,2-dimethylpyrrol-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-propan-2-yliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-3-hydroxy-5-imino-2H-pyrrole-4-carboxamide.

Molecular Properties

• Compound Name: 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(ethylamino)-2H-pyrrol-3-one;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,2-dimethylpyrrol-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-propan-2-yliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-3-hydroxy-5-imino-2H-pyrrole-4-carboxamide
• PubChem CID: 157217378
• Molecular Formula: C107H121N17O17
• Molecular Weight: 1917.25 g/mol
• Exact Mass: 1915.91
• IUPAC Name: 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(ethylamino)-2H-pyrrol-3-one;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,2-dimethylpyrrol-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-propan-2-yliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-3-hydroxy-5-imino-2H-pyrrole-4-carboxamide
• SMILES: CC/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(C)(C)N1c1cc(OC)cc(OC)c1.CCNC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cc(OC)cc(OC)c1.COCCNC1=C(c2nc3ccccc3[nH]2)C(=O)C(C)(C)N1c1cc(OC)cc(OC)c1.COc1cc(OC)cc(N2/C(=N\C(C)C)C(=C3Cc4ccccc4N3)C(=O)C2(C)C)c1.[H]/N=C1\C(C(N)=O)=C(O)CN1c1cc(OC)cc(OC)c1
• InChI: InChI=1S/C25H29N3O3.C24H28N4O4.C24H27N3O3.C21H22N4O3.C13H15N3O4/c1-15(2)26-24-22(21-11-16-9-7-8-10-20(16)27-21)23(29)25(3,4)28(24)17-12-18(30-5)14-19(13-17)31-6;1-24(2)21(29)20(22-26-18-8-6-7-9-19(18)27-22)23(25-10-11-30-3)28(24)15-12-16(31-4)14-17(13-15)32-5;1-6-25-23-21(20-11-15-9-7-8-10-19(15)26-20)22(28)24(2,3)27(23)16-12-17(29-4)14-18(13-16)30-5;1-4-22-21-19(20-23-16-7-5-6-8-17(16)24-20)18(26)12-25(21)13-9-14(27-2)11-15(10-13)28-3;1-19-8-3-7(4-9(5-8)20-2)16-6-10(17)11(12(16)14)13(15)18/h7-10,12-15,27H,11H2,1-6H3;6-9,12-14,25H,10-11H2,1-5H3,(H,26,27);7-10,12-14,26H,6,11H2,1-5H3;5-11,22H,4,12H2,1-3H3,(H,23,24);3-5,14,17H,6H2,1-2H3,(H2,15,18)/b22-21?,26-24-;;21-20?,25-23-;;14-12+
• InChIKey: MRGGXIQBZKBNMG-XQWQNBJXSA-N
• XLogP: 15.91
• TPSA: 403.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1917.25
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(ethylamino)-2H-pyrrol-3-one;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,2-dimethylpyrrol-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-propan-2-yliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-3-hydroxy-5-imino-2H-pyrrole-4-carboxamide?

The IUPAC name of 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(ethylamino)-2H-pyrrol-3-one;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,2-dimethylpyrrol-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-propan-2-yliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-3-hydroxy-5-imino-2H-pyrrole-4-carboxamide (CID 157217378) is 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(ethylamino)-2H-pyrrol-3-one;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,2-dimethylpyrrol-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-propan-2-yliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-3-hydroxy-5-imino-2H-pyrrole-4-carboxamide.

What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(ethylamino)-2H-pyrrol-3-one;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,2-dimethylpyrrol-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-propan-2-yliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-3-hydroxy-5-imino-2H-pyrrole-4-carboxamide?

The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(ethylamino)-2H-pyrrol-3-one;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,2-dimethylpyrrol-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-propan-2-yliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-3-hydroxy-5-imino-2H-pyrrole-4-carboxamide is CC/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(C)(C)N1c1cc(OC)cc(OC)c1.CCNC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cc(OC)cc(OC)c1.COCCNC1=C(c2nc3ccccc3[nH]2)C(=O)C(C)(C)N1c1cc(OC)cc(OC)c1.COc1cc(OC)cc(N2/C(=N\C(C)C)C(=C3Cc4ccccc4N3)C(=O)C2(C)C)c1.[H]/N=C1\C(C(N)=O)=C(O)CN1c1cc(OC)cc(OC)c1.

What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(ethylamino)-2H-pyrrol-3-one;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,2-dimethylpyrrol-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-propan-2-yliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-3-hydroxy-5-imino-2H-pyrrole-4-carboxamide?

The InChIKey is MRGGXIQBZKBNMG-XQWQNBJXSA-N. The full InChI is InChI=1S/C25H29N3O3.C24H28N4O4.C24H27N3O3.C21H22N4O3.C13H15N3O4/c1-15(2)26-24-22(21-11-16-9-7-8-10-20(16)27-21)23(29)25(3,4)28(24)17-12-18(30-5)14-19(13-17)31-6;1-24(2)21(29)20(22-26-18-8-6-7-9-19(18)27-22)23(25-10-11-30-3)28(24)15-12-16(31-4)14-17(13-15)32-5;1-6-25-23-21(20-11-15-9-7-8-10-19(15)26-20)22(28)24(2,3)27(23)16-12-17(29-4)14-18(13-16)30-5;1-4-22-21-19(20-23-16-7-5-6-8-17(16)24-20)18(26)12-25(21)13-9-14(27-2)11-15(10-13)28-3;1-19-8-3-7(4-9(5-8)20-2)16-6-10(17)11(12(16)14)13(15)18/h7-10,12-15,27H,11H2,1-6H3;6-9,12-14,25H,10-11H2,1-5H3,(H,26,27);7-10,12-14,26H,6,11H2,1-5H3;5-11,22H,4,12H2,1-3H3,(H,23,24);3-5,14,17H,6H2,1-2H3,(H2,15,18)/b22-21?,26-24-;;21-20?,25-23-;;14-12+.

What are the key properties of 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(ethylamino)-2H-pyrrol-3-one;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,2-dimethylpyrrol-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-propan-2-yliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-3-hydroxy-5-imino-2H-pyrrole-4-carboxamide?

4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(ethylamino)-2H-pyrrol-3-one;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,2-dimethylpyrrol-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-propan-2-yliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-3-hydroxy-5-imino-2H-pyrrole-4-carboxamide has a molecular weight of 1917.25 g/mol, XLogP of 15.91, 26 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(ethylamino)-2H-pyrrol-3-one;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,2-dimethylpyrrol-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-propan-2-yliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-3-hydroxy-5-imino-2H-pyrrole-4-carboxamide is sourced from PubChem (CID 157217378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).