2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane

C108H120Cl2F3N23O11 — CID 159476988

About 2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane

2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane (PubChem CID 159476988) has the molecular formula C108H120Cl2F3N23O11 and a molecular weight of 2044.20 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane.

Molecular Properties

• Compound Name: 2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane
• PubChem CID: 159476988
• Molecular Formula: C108H120Cl2F3N23O11
• Molecular Weight: 2044.20 g/mol
• Exact Mass: 2041.89
• IUPAC Name: 2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane
• SMILES: C.COc1nccc(Cl)c1-c1nc2c(C)c3c(cc2[nH]1)C(=O)N(CCN(C)C)C3=O.Cc1c2c(cc3[nH]c(-c4c(Cl)cc[nH]c4=O)nc13)C(=O)N(CCN(C)C)C2=O.Cc1ccc(F)cc1CC(C)N.Cc1ccc(F)cc1CC(C)Nc1cc[nH]c(=O)c1-c1nc2c(C)c3c(cc2[nH]1)C(=O)N(CCN(C)C)C3=O.Cc1ccc(F)cc1CC(C)Nc1cc[nH]c(=O)c1-c1nc2c(C)c3c(cc2[nH]1)CN(CCN(C)C)C3=O
• InChI: InChI=1S/C29H31FN6O3.C29H33FN6O2.C20H20ClN5O3.C19H18ClN5O3.C10H14FN.CH4/c1-15-6-7-19(30)13-18(15)12-16(2)32-21-8-9-31-27(37)24(21)26-33-22-14-20-23(17(3)25(22)34-26)29(39)36(28(20)38)11-10-35(4)5;1-16-6-7-21(30)13-19(16)12-17(2)32-22-8-9-31-28(37)25(22)27-33-23-14-20-15-36(11-10-35(4)5)29(38)24(20)18(3)26(23)34-27;1-10-14-11(19(27)26(20(14)28)8-7-25(2)3)9-13-16(10)24-17(23-13)15-12(21)5-6-22-18(15)29-4;1-9-13-10(18(27)25(19(13)28)7-6-24(2)3)8-12-15(9)23-16(22-12)14-11(20)4-5-21-17(14)26;1-7-3-4-10(11)6-9(7)5-8(2)12;/h6-9,13-14,16H,10-12H2,1-5H3,(H,33,34)(H2,31,32,37);6-9,13-14,17H,10-12,15H2,1-5H3,(H,33,34)(H2,31,32,37);5-6,9H,7-8H2,1-4H3,(H,23,24);4-5,8H,6-7H2,1-3H3,(H,21,26)(H,22,23);3-4,6,8H,5,12H2,1-2H3;1H4
• InChIKey: LWMSUZLQYLANOX-UHFFFAOYSA-N
• XLogP: 15.56
• TPSA: 430.91 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2044.20
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane?

The IUPAC name of 2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane (CID 159476988) is 2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane.

What is the SMILES notation for 2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane?

The canonical SMILES for 2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane is C.COc1nccc(Cl)c1-c1nc2c(C)c3c(cc2[nH]1)C(=O)N(CCN(C)C)C3=O.Cc1c2c(cc3[nH]c(-c4c(Cl)cc[nH]c4=O)nc13)C(=O)N(CCN(C)C)C2=O.Cc1ccc(F)cc1CC(C)N.Cc1ccc(F)cc1CC(C)Nc1cc[nH]c(=O)c1-c1nc2c(C)c3c(cc2[nH]1)C(=O)N(CCN(C)C)C3=O.Cc1ccc(F)cc1CC(C)Nc1cc[nH]c(=O)c1-c1nc2c(C)c3c(cc2[nH]1)CN(CCN(C)C)C3=O.

What is the InChIKey of 2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane?

The InChIKey is LWMSUZLQYLANOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN6O3.C29H33FN6O2.C20H20ClN5O3.C19H18ClN5O3.C10H14FN.CH4/c1-15-6-7-19(30)13-18(15)12-16(2)32-21-8-9-31-27(37)24(21)26-33-22-14-20-23(17(3)25(22)34-26)29(39)36(28(20)38)11-10-35(4)5;1-16-6-7-21(30)13-19(16)12-17(2)32-22-8-9-31-28(37)25(22)27-33-23-14-20-15-36(11-10-35(4)5)29(38)24(20)18(3)26(23)34-27;1-10-14-11(19(27)26(20(14)28)8-7-25(2)3)9-13-16(10)24-17(23-13)15-12(21)5-6-22-18(15)29-4;1-9-13-10(18(27)25(19(13)28)7-6-24(2)3)8-12-15(9)23-16(22-12)14-11(20)4-5-21-17(14)26;1-7-3-4-10(11)6-9(7)5-8(2)12;/h6-9,13-14,16H,10-12H2,1-5H3,(H,33,34)(H2,31,32,37);6-9,13-14,17H,10-12,15H2,1-5H3,(H,33,34)(H2,31,32,37);5-6,9H,7-8H2,1-4H3,(H,23,24);4-5,8H,6-7H2,1-3H3,(H,21,26)(H,22,23);3-4,6,8H,5,12H2,1-2H3;1H4.

What are the key properties of 2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane?

2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane has a molecular weight of 2044.20 g/mol, XLogP of 15.56, 27 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;6-[2-(dimethylamino)ethyl]-2-[4-[1-(5-fluoro-2-methylphenyl)propan-2-ylamino]-2-oxo-1H-pyridin-3-yl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;1-(5-fluoro-2-methylphenyl)propan-2-amine;methane is sourced from PubChem (CID 159476988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).