6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-5-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride

C115H138Cl2F12N32O11 — CID 157409066

About 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-5-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride

6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-5-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride (PubChem CID 157409066) has the molecular formula C115H138Cl2F12N32O11 and a molecular weight of 2443.46 g/mol. Its IUPAC name is 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-5-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-5-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride
• PubChem CID: 157409066
• Molecular Formula: C115H138Cl2F12N32O11
• Molecular Weight: 2443.46 g/mol
• Exact Mass: 2441.04
• IUPAC Name: 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-5-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)c(OC(F)F)cc1N(C)CCN(C)C.CN(C)CCN(C)c1cc(OC(F)F)c(N)cc1[N+](=O)[O-].CO.Cc1nc2c(F)cc(-c3ccnc(Cl)n3)cc2n1C(C)C.Cc1nc2c(F)cc(-c3ccnc(Nc4cc(N)c(N(C)CCN(C)C)cc4OC(F)F)n3)cc2n1C(C)C.Cc1nc2c(F)cc(-c3ccnc(Nc4cc([N+](=O)[O-])c(N(C)CCN(C)C)cc4OC(F)F)n3)cc2n1C(C)C
• InChI: InChI=1S/C30H35F3N8O2.C27H31F3N8O3.C27H33F3N8O.C15H14ClFN4.C12H18F2N4O3.C3H3ClO.CH4O/c1-8-27(42)36-22-15-23(26(43-29(32)33)16-24(22)40(7)12-11-39(5)6)38-30-34-10-9-21(37-30)19-13-20(31)28-25(14-19)41(17(2)3)18(4)35-28;1-15(2)37-16(3)32-25-18(28)11-17(12-23(25)37)19-7-8-31-27(33-19)34-20-13-22(38(39)40)21(14-24(20)41-26(29)30)36(6)10-9-35(4)5;1-15(2)38-16(3)33-25-18(28)11-17(12-23(25)38)20-7-8-32-27(34-20)35-21-13-19(31)22(14-24(21)39-26(29)30)37(6)10-9-36(4)5;1-8(2)21-9(3)19-14-11(17)6-10(7-13(14)21)12-4-5-18-15(16)20-12;1-16(2)4-5-17(3)9-7-11(21-12(13)14)8(15)6-10(9)18(19)20;1-2-3(4)5;1-2/h8-10,13-17,29H,1,11-12H2,2-7H3,(H,36,42)(H,34,37,38);7-8,11-15,26H,9-10H2,1-6H3,(H,31,33,34);7-8,11-15,26H,9-10,31H2,1-6H3,(H,32,34,35);4-8H,1-3H3;6-7,12H,4-5,15H2,1-3H3;2H,1H2;2H,1H3
• InChIKey: BOBJPCWOTQEZOX-UHFFFAOYSA-N
• XLogP: 23.71
• TPSA: 478.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 43
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2443.46
LogP ≤ 5	23.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-5-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride?

The IUPAC name of 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-5-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride (CID 157409066) is 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-5-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride.

What is the SMILES notation for 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-5-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride?

The canonical SMILES for 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-5-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)c(OC(F)F)cc1N(C)CCN(C)C.CN(C)CCN(C)c1cc(OC(F)F)c(N)cc1[N+](=O)[O-].CO.Cc1nc2c(F)cc(-c3ccnc(Cl)n3)cc2n1C(C)C.Cc1nc2c(F)cc(-c3ccnc(Nc4cc(N)c(N(C)CCN(C)C)cc4OC(F)F)n3)cc2n1C(C)C.Cc1nc2c(F)cc(-c3ccnc(Nc4cc([N+](=O)[O-])c(N(C)CCN(C)C)cc4OC(F)F)n3)cc2n1C(C)C.

What is the InChIKey of 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-5-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride?

The InChIKey is BOBJPCWOTQEZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3N8O2.C27H31F3N8O3.C27H33F3N8O.C15H14ClFN4.C12H18F2N4O3.C3H3ClO.CH4O/c1-8-27(42)36-22-15-23(26(43-29(32)33)16-24(22)40(7)12-11-39(5)6)38-30-34-10-9-21(37-30)19-13-20(31)28-25(14-19)41(17(2)3)18(4)35-28;1-15(2)37-16(3)32-25-18(28)11-17(12-23(25)37)19-7-8-31-27(33-19)34-20-13-22(38(39)40)21(14-24(20)41-26(29)30)36(6)10-9-35(4)5;1-15(2)38-16(3)33-25-18(28)11-17(12-23(25)38)20-7-8-32-27(34-20)35-21-13-19(31)22(14-24(21)39-26(29)30)37(6)10-9-36(4)5;1-8(2)21-9(3)19-14-11(17)6-10(7-13(14)21)12-4-5-18-15(16)20-12;1-16(2)4-5-17(3)9-7-11(21-12(13)14)8(15)6-10(9)18(19)20;1-2-3(4)5;1-2/h8-10,13-17,29H,1,11-12H2,2-7H3,(H,36,42)(H,34,37,38);7-8,11-15,26H,9-10H2,1-6H3,(H,31,33,34);7-8,11-15,26H,9-10,31H2,1-6H3,(H,32,34,35);4-8H,1-3H3;6-7,12H,4-5,15H2,1-3H3;2H,1H2;2H,1H3.

What are the key properties of 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-5-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride?

6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-5-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride has a molecular weight of 2443.46 g/mol, XLogP of 23.71, 43 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-5-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride is sourced from PubChem (CID 157409066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).