6-(2-chloropyrimidin-4-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride

C115H138Cl2F12N32O11 — CID 159565869

About 6-(2-chloropyrimidin-4-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride

6-(2-chloropyrimidin-4-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride (PubChem CID 159565869) has the molecular formula C115H138Cl2F12N32O11 and a molecular weight of 2443.46 g/mol. Its IUPAC name is 6-(2-chloropyrimidin-4-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 6-(2-chloropyrimidin-4-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride
• PubChem CID: 159565869
• Molecular Formula: C115H138Cl2F12N32O11
• Molecular Weight: 2443.46 g/mol
• Exact Mass: 2441.04
• IUPAC Name: 6-(2-chloropyrimidin-4-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4nc(C(F)(F)F)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.CC(C)n1c(C(F)(F)F)nc2ccc(-c3ccnc(Cl)n3)cc21.CO.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2ccc3nc(C(F)(F)F)n(C(C)C)c3c2)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2ccc3nc(C(F)(F)F)n(C(C)C)c3c2)n1
• InChI: InChI=1S/C30H35F3N8O2.C27H31F3N8O3.C27H33F3N8O.C15H12ClF3N4.C12H20N4O3.C3H3ClO.CH4O/c1-8-27(42)35-22-16-23(26(43-7)17-24(22)40(6)14-13-39(4)5)38-29-34-12-11-20(37-29)19-9-10-21-25(15-19)41(18(2)3)28(36-21)30(31,32)33;1-16(2)37-21-13-17(7-8-19(21)32-25(37)27(28,29)30)18-9-10-31-26(33-18)34-20-14-23(38(39)40)22(15-24(20)41-6)36(5)12-11-35(3)4;1-16(2)38-23-13-17(7-8-20(23)33-25(38)27(28,29)30)19-9-10-32-26(34-19)35-21-14-18(31)22(15-24(21)39-6)37(5)12-11-36(3)4;1-8(2)23-12-7-9(10-5-6-20-14(16)22-10)3-4-11(12)21-13(23)15(17,18)19;1-14(2)5-6-15(3)10-8-12(19-4)9(13)7-11(10)16(17)18;1-2-3(4)5;1-2/h8-12,15-18H,1,13-14H2,2-7H3,(H,35,42)(H,34,37,38);7-10,13-16H,11-12H2,1-6H3,(H,31,33,34);7-10,13-16H,11-12,31H2,1-6H3,(H,32,34,35);3-8H,1-2H3;7-8H,5-6,13H2,1-4H3;2H,1H2;2H,1H3
• InChIKey: MHEMWYBKQKCMAD-UHFFFAOYSA-N
• XLogP: 23.62
• TPSA: 478.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 39
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2443.46
LogP ≤ 5	23.62
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)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride?

The IUPAC name of 6-(2-chloropyrimidin-4-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride (CID 159565869) is 6-(2-chloropyrimidin-4-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride.

What is the SMILES notation for 6-(2-chloropyrimidin-4-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride?

The canonical SMILES for 6-(2-chloropyrimidin-4-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2nccc(-c3ccc4nc(C(F)(F)F)n(C(C)C)c4c3)n2)c(OC)cc1N(C)CCN(C)C.CC(C)n1c(C(F)(F)F)nc2ccc(-c3ccnc(Cl)n3)cc21.CO.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2ccc3nc(C(F)(F)F)n(C(C)C)c3c2)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2ccc3nc(C(F)(F)F)n(C(C)C)c3c2)n1.

What is the InChIKey of 6-(2-chloropyrimidin-4-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride?

The InChIKey is MHEMWYBKQKCMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3N8O2.C27H31F3N8O3.C27H33F3N8O.C15H12ClF3N4.C12H20N4O3.C3H3ClO.CH4O/c1-8-27(42)35-22-16-23(26(43-7)17-24(22)40(6)14-13-39(4)5)38-29-34-12-11-20(37-29)19-9-10-21-25(15-19)41(18(2)3)28(36-21)30(31,32)33;1-16(2)37-21-13-17(7-8-19(21)32-25(37)27(28,29)30)18-9-10-31-26(33-18)34-20-14-23(38(39)40)22(15-24(20)41-6)36(5)12-11-35(3)4;1-16(2)38-23-13-17(7-8-20(23)33-25(38)27(28,29)30)19-9-10-32-26(34-19)35-21-14-18(31)22(15-24(21)39-6)37(5)12-11-36(3)4;1-8(2)23-12-7-9(10-5-6-20-14(16)22-10)3-4-11(12)21-13(23)15(17,18)19;1-14(2)5-6-15(3)10-8-12(19-4)9(13)7-11(10)16(17)18;1-2-3(4)5;1-2/h8-12,15-18H,1,13-14H2,2-7H3,(H,35,42)(H,34,37,38);7-10,13-16H,11-12H2,1-6H3,(H,31,33,34);7-10,13-16H,11-12,31H2,1-6H3,(H,32,34,35);3-8H,1-2H3;7-8H,5-6,13H2,1-4H3;2H,1H2;2H,1H3.

What are the key properties of 6-(2-chloropyrimidin-4-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride?

6-(2-chloropyrimidin-4-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride has a molecular weight of 2443.46 g/mol, XLogP of 23.62, 39 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)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]benzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanol;prop-2-enoyl chloride is sourced from PubChem (CID 159565869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).