4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-2H-pyrrol-3-ol;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydropyrrolo[2,3-c]pyridin-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methyl-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one

C101H100N18O15 — CID 159815411

About 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-2H-pyrrol-3-ol;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydropyrrolo[2,3-c]pyridin-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methyl-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one

4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-2H-pyrrol-3-ol;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydropyrrolo[2,3-c]pyridin-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methyl-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one (PubChem CID 159815411) has the molecular formula C101H100N18O15 and a molecular weight of 1806.02 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-2H-pyrrol-3-ol;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydropyrrolo[2,3-c]pyridin-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methyl-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one.

Molecular Properties

• Compound Name: 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-2H-pyrrol-3-ol;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydropyrrolo[2,3-c]pyridin-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methyl-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one
• PubChem CID: 159815411
• Molecular Formula: C101H100N18O15
• Molecular Weight: 1806.02 g/mol
• Exact Mass: 1804.76
• IUPAC Name: 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-2H-pyrrol-3-ol;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydropyrrolo[2,3-c]pyridin-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methyl-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one
• SMILES: [H]/N=C1/C(=C2Cc3cccc(C)c3N2)C(=O)CN1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)CN1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccncc3N2)C(=O)CN1c1cc(OC)cc(OC)c1.[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)C(C)N1c1cc(OC)cc(OC)c1.[H]/N=C1\C(c2nc3ccccc3[nH]2)=C(O)C(C)(C)N1c1cc(OC)cc(OC)c1
• InChI: InChI=1S/C21H22N4O3.C21H21N3O3.C20H20N4O3.C20H19N3O3.C19H18N4O3/c1-21(2)18(26)17(20-23-15-7-5-6-8-16(15)24-20)19(22)25(21)12-9-13(27-3)11-14(10-12)28-4;1-12-5-4-6-13-7-17(23-20(12)13)19-18(25)11-24(21(19)22)14-8-15(26-2)10-16(9-14)27-3;1-11-18(25)17(20-22-15-6-4-5-7-16(15)23-20)19(21)24(11)12-8-13(26-2)10-14(9-12)27-3;1-25-14-8-13(9-15(10-14)26-2)23-11-18(24)19(20(23)21)17-7-12-5-3-4-6-16(12)22-17;1-25-13-6-12(7-14(8-13)26-2)23-10-17(24)18(19(23)20)15-5-11-3-4-21-9-16(11)22-15/h5-11,22,26H,1-4H3,(H,23,24);4-6,8-10,22-23H,7,11H2,1-3H3;4-11,21,25H,1-3H3,(H,22,23);3-6,8-10,21-22H,7,11H2,1-2H3;3-4,6-9,20,22H,5,10H2,1-2H3/b22-19+;19-17?,22-21-;21-19-;19-17?,21-20-;18-15?,20-19-
• InChIKey: XURYEEODVLNVCU-HEACTKNDSA-N
• XLogP: 16.54
• TPSA: 425.76 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1806.02
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

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-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-2H-pyrrol-3-ol;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydropyrrolo[2,3-c]pyridin-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methyl-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one?

The IUPAC name of 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-2H-pyrrol-3-ol;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydropyrrolo[2,3-c]pyridin-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methyl-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one (CID 159815411) is 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-2H-pyrrol-3-ol;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydropyrrolo[2,3-c]pyridin-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methyl-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one.

What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-2H-pyrrol-3-ol;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydropyrrolo[2,3-c]pyridin-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methyl-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one?

The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-2H-pyrrol-3-ol;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydropyrrolo[2,3-c]pyridin-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methyl-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one is [H]/N=C1/C(=C2Cc3cccc(C)c3N2)C(=O)CN1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)CN1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccncc3N2)C(=O)CN1c1cc(OC)cc(OC)c1.[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)C(C)N1c1cc(OC)cc(OC)c1.[H]/N=C1\C(c2nc3ccccc3[nH]2)=C(O)C(C)(C)N1c1cc(OC)cc(OC)c1.

What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-2H-pyrrol-3-ol;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydropyrrolo[2,3-c]pyridin-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methyl-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one?

The InChIKey is XURYEEODVLNVCU-HEACTKNDSA-N. The full InChI is InChI=1S/C21H22N4O3.C21H21N3O3.C20H20N4O3.C20H19N3O3.C19H18N4O3/c1-21(2)18(26)17(20-23-15-7-5-6-8-16(15)24-20)19(22)25(21)12-9-13(27-3)11-14(10-12)28-4;1-12-5-4-6-13-7-17(23-20(12)13)19-18(25)11-24(21(19)22)14-8-15(26-2)10-16(9-14)27-3;1-11-18(25)17(20-22-15-6-4-5-7-16(15)23-20)19(21)24(11)12-8-13(26-2)10-14(9-12)27-3;1-25-14-8-13(9-15(10-14)26-2)23-11-18(24)19(20(23)21)17-7-12-5-3-4-6-16(12)22-17;1-25-13-6-12(7-14(8-13)26-2)23-10-17(24)18(19(23)20)15-5-11-3-4-21-9-16(11)22-15/h5-11,22,26H,1-4H3,(H,23,24);4-6,8-10,22-23H,7,11H2,1-3H3;4-11,21,25H,1-3H3,(H,22,23);3-6,8-10,21-22H,7,11H2,1-2H3;3-4,6-9,20,22H,5,10H2,1-2H3/b22-19+;19-17?,22-21-;21-19-;19-17?,21-20-;18-15?,20-19-.

What are the key properties of 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-2H-pyrrol-3-ol;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydropyrrolo[2,3-c]pyridin-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methyl-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one?

4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-2H-pyrrol-3-ol;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydropyrrolo[2,3-c]pyridin-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methyl-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one has a molecular weight of 1806.02 g/mol, XLogP of 16.54, 17 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-2H-pyrrol-3-ol;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydropyrrolo[2,3-c]pyridin-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methyl-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one is sourced from PubChem (CID 159815411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).