6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-[5-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-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-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride

C115H138Cl2F4N32O11 — CID 157481312

About 6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-[5-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-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-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride

6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-[5-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-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-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride (PubChem CID 157481312) has the molecular formula C115H138Cl2F4N32O11 and a molecular weight of 2291.48 g/mol. Its IUPAC name is 6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-[5-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-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-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-[5-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-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-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride
• PubChem CID: 157481312
• Molecular Formula: C115H138Cl2F4N32O11
• Molecular Weight: 2291.48 g/mol
• Exact Mass: 2289.05
• IUPAC Name: 6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-[5-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-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-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(F)c4nc(C)n(C5CC5)c4c3)n2)c(OC)cc1N(C)CCN(C)C.CO.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2cc(F)c3nc(C)n(C4CC4)c3c2)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2cc(F)c3nc(C)n(C4CC4)c3c2)n1.Cc1nc2c(F)cc(-c3ccnc(Cl)n3)cc2n1C1CC1
• InChI: InChI=1S/C30H35FN8O2.C27H31FN8O3.C27H33FN8O.C15H12ClFN4.C12H20N4O3.C3H3ClO.CH4O/c1-7-28(40)34-23-16-24(27(41-6)17-25(23)38(5)13-12-37(3)4)36-30-32-11-10-22(35-30)19-14-21(31)29-26(15-19)39(18(2)33-29)20-8-9-20;1-16-30-26-19(28)12-17(13-24(26)35(16)18-6-7-18)20-8-9-29-27(31-20)32-21-14-23(36(37)38)22(15-25(21)39-5)34(4)11-10-33(2)3;1-16-31-26-19(28)12-17(13-24(26)36(16)18-6-7-18)21-8-9-30-27(32-21)33-22-14-20(29)23(15-25(22)37-5)35(4)11-10-34(2)3;1-8-19-14-11(17)6-9(12-4-5-18-15(16)20-12)7-13(14)21(8)10-2-3-10;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/h7,10-11,14-17,20H,1,8-9,12-13H2,2-6H3,(H,34,40)(H,32,35,36);8-9,12-15,18H,6-7,10-11H2,1-5H3,(H,29,31,32);8-9,12-15,18H,6-7,10-11,29H2,1-5H3,(H,30,32,33);4-7,10H,2-3H2,1H3;7-8H,5-6,13H2,1-4H3;2H,1H2;2H,1H3
• InChIKey: BWERGEZMTQJBEX-UHFFFAOYSA-N
• XLogP: 20.35
• TPSA: 478.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 39
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2291.48
LogP ≤ 5	20.35
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-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-[5-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-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-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride?

The IUPAC name of 6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-[5-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-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-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride (CID 157481312) is 6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-[5-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-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-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride.

What is the SMILES notation for 6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-[5-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-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-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride?

The canonical SMILES for 6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-[5-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-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-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(F)c4nc(C)n(C5CC5)c4c3)n2)c(OC)cc1N(C)CCN(C)C.CO.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2cc(F)c3nc(C)n(C4CC4)c3c2)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2cc(F)c3nc(C)n(C4CC4)c3c2)n1.Cc1nc2c(F)cc(-c3ccnc(Cl)n3)cc2n1C1CC1.

What is the InChIKey of 6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-[5-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-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-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride?

The InChIKey is BWERGEZMTQJBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN8O2.C27H31FN8O3.C27H33FN8O.C15H12ClFN4.C12H20N4O3.C3H3ClO.CH4O/c1-7-28(40)34-23-16-24(27(41-6)17-25(23)38(5)13-12-37(3)4)36-30-32-11-10-22(35-30)19-14-21(31)29-26(15-19)39(18(2)33-29)20-8-9-20;1-16-30-26-19(28)12-17(13-24(26)35(16)18-6-7-18)20-8-9-29-27(31-20)32-21-14-23(36(37)38)22(15-25(21)39-5)34(4)11-10-33(2)3;1-16-31-26-19(28)12-17(13-24(26)36(16)18-6-7-18)21-8-9-30-27(32-21)33-22-14-20(29)23(15-25(22)37-5)35(4)11-10-34(2)3;1-8-19-14-11(17)6-9(12-4-5-18-15(16)20-12)7-13(14)21(8)10-2-3-10;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/h7,10-11,14-17,20H,1,8-9,12-13H2,2-6H3,(H,34,40)(H,32,35,36);8-9,12-15,18H,6-7,10-11H2,1-5H3,(H,29,31,32);8-9,12-15,18H,6-7,10-11,29H2,1-5H3,(H,30,32,33);4-7,10H,2-3H2,1H3;7-8H,5-6,13H2,1-4H3;2H,1H2;2H,1H3.

What are the key properties of 6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-[5-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-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-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride?

6-(2-chloropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-[5-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-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-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride has a molecular weight of 2291.48 g/mol, XLogP of 20.35, 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-cyclopropyl-4-fluoro-2-methylbenzimidazole;N-[5-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)pyrimidin-2-yl]-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-nitrobenzene-1,4-diamine;methanol;prop-2-enoyl chloride is sourced from PubChem (CID 157481312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).