8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide

C75H72F4N16O6S — CID 159193246

About 8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide

8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide (PubChem CID 159193246) has the molecular formula C75H72F4N16O6S and a molecular weight of 1401.57 g/mol. Its IUPAC name is 8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide
• PubChem CID: 159193246
• Molecular Formula: C75H72F4N16O6S
• Molecular Weight: 1401.57 g/mol
• Exact Mass: 1400.55
• IUPAC Name: 8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide
• SMILES: Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)N(C)C)c(F)c3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(=O)(=O)N(C)C)cc3)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccc(CCN(C)C)c3)c2n1
• InChI: InChI=1S/C26H25FN6O.C25H23F2N5O2.C24H24FN5O3S/c1-28-24-16-33-25(31-24)20(18-6-4-5-17(13-18)9-11-32(2)3)14-29-26(33)30-15-21-19-10-12-34-23(19)8-7-22(21)27;1-14-13-32-23(30-14)18(15-4-5-17(21(27)10-15)24(33)31(2)3)11-28-25(32)29-12-19-16-8-9-34-22(16)7-6-20(19)26;1-15-14-30-23(28-15)19(16-4-6-17(7-5-16)34(31,32)29(2)3)12-26-24(30)27-13-20-18-10-11-33-22(18)9-8-21(20)25/h4-8,13-14,16H,9-12,15H2,2-3H3,(H,29,30);4-7,10-11,13H,8-9,12H2,1-3H3,(H,28,29);4-9,12,14H,10-11,13H2,1-3H3,(H,26,27)
• InChIKey: KOIULEORBIRCMG-UHFFFAOYSA-N
• XLogP: 12.61
• TPSA: 219.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1401.57
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide?

The IUPAC name of 8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide (CID 159193246) is 8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide.

What is the SMILES notation for 8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide?

The canonical SMILES for 8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)N(C)C)c(F)c3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(=O)(=O)N(C)C)cc3)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccc(CCN(C)C)c3)c2n1.

What is the InChIKey of 8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide?

The InChIKey is KOIULEORBIRCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O.C25H23F2N5O2.C24H24FN5O3S/c1-28-24-16-33-25(31-24)20(18-6-4-5-17(13-18)9-11-32(2)3)14-29-26(33)30-15-21-19-10-12-34-23(19)8-7-22(21)27;1-14-13-32-23(30-14)18(15-4-5-17(21(27)10-15)24(33)31(2)3)11-28-25(32)29-12-19-16-8-9-34-22(16)7-6-20(19)26;1-15-14-30-23(28-15)19(16-4-6-17(7-5-16)34(31,32)29(2)3)12-26-24(30)27-13-20-18-10-11-33-22(18)9-8-21(20)25/h4-8,13-14,16H,9-12,15H2,2-3H3,(H,29,30);4-7,10-11,13H,8-9,12H2,1-3H3,(H,28,29);4-9,12,14H,10-11,13H2,1-3H3,(H,26,27).

What are the key properties of 8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide?

8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide has a molecular weight of 1401.57 g/mol, XLogP of 12.61, 18 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 159193246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).