2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate

C154H174Cl6N40O5S2 — CID 159252064

About 2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate

2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate (PubChem CID 159252064) has the molecular formula C154H174Cl6N40O5S2 and a molecular weight of 2942.21 g/mol. Its IUPAC name is 2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate.

Molecular Properties

• Compound Name: 2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate
• PubChem CID: 159252064
• Molecular Formula: C154H174Cl6N40O5S2
• Molecular Weight: 2942.21 g/mol
• Exact Mass: 2937.22
• IUPAC Name: 2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate
• SMILES: C=C(C)N1CCN(c2ccc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.C=C(C)N1CCN(c2cccc(-c3nc4ccccc4n3C)n2)CC1.C=CN1CCN(c2ccc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.C=S(C)(=O)N1CCN(c2ccc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.C=S(C)(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C)n2)CC1.CC1CCN(c2ccc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.CNC(=O)N1CCN(c2ccc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.Cn1c(-c2nc(N3CC[NH+](C)CC3)ccc2Cl)nc2ccccc21.O=C[O-]
• InChI: InChI=1S/C20H22ClN5.C20H23N5.C19H21ClN6O.C19H22ClN5OS.C19H20ClN5.C19H21ClN4.C19H23N5OS.C18H20ClN5.CH2O2/c1-14(2)25-10-12-26(13-11-25)18-9-8-15(21)19(23-18)20-22-16-6-4-5-7-17(16)24(20)3;1-15(2)24-11-13-25(14-12-24)19-10-6-8-17(21-19)20-22-16-7-4-5-9-18(16)23(20)3;1-21-19(27)26-11-9-25(10-12-26)16-8-7-13(20)17(23-16)18-22-14-5-3-4-6-15(14)24(18)2;1-23-16-7-5-4-6-15(16)21-19(23)18-14(20)8-9-17(22-18)24-10-12-25(13-11-24)27(2,3)26;1-3-24-10-12-25(13-11-24)17-9-8-14(20)18(22-17)19-21-15-6-4-5-7-16(15)23(19)2;1-13-9-11-24(12-10-13)17-8-7-14(20)18(22-17)19-21-15-5-3-4-6-16(15)23(19)2;1-22-17-9-5-4-7-15(17)21-19(22)16-8-6-10-18(20-16)23-11-13-24(14-12-23)26(2,3)25;1-22-9-11-24(12-10-22)16-8-7-13(19)17(21-16)18-20-14-5-3-4-6-15(14)23(18)2;2-1-3/h4-9H,1,10-13H2,2-3H3;4-10H,1,11-14H2,2-3H3;3-8H,9-12H2,1-2H3,(H,21,27);4-9H,2,10-13H2,1,3H3;3-9H,1,10-13H2,2H3;3-8,13H,9-12H2,1-2H3;4-10H,2,11-14H2,1,3H3;3-8H,9-12H2,1-2H3;1H,(H,2,3)
• InChIKey: KVKNSKRNZKBYPN-UHFFFAOYSA-N
• XLogP: 22.74
• TPSA: 398.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 21
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2942.21
LogP ≤ 5	22.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate?

The IUPAC name of 2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate (CID 159252064) is 2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate.

What is the SMILES notation for 2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate?

The canonical SMILES for 2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate is C=C(C)N1CCN(c2ccc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.C=C(C)N1CCN(c2cccc(-c3nc4ccccc4n3C)n2)CC1.C=CN1CCN(c2ccc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.C=S(C)(=O)N1CCN(c2ccc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.C=S(C)(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C)n2)CC1.CC1CCN(c2ccc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.CNC(=O)N1CCN(c2ccc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.Cn1c(-c2nc(N3CC[NH+](C)CC3)ccc2Cl)nc2ccccc21.O=C[O-].

What is the InChIKey of 2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate?

The InChIKey is KVKNSKRNZKBYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5.C20H23N5.C19H21ClN6O.C19H22ClN5OS.C19H20ClN5.C19H21ClN4.C19H23N5OS.C18H20ClN5.CH2O2/c1-14(2)25-10-12-26(13-11-25)18-9-8-15(21)19(23-18)20-22-16-6-4-5-7-17(16)24(20)3;1-15(2)24-11-13-25(14-12-24)19-10-6-8-17(21-19)20-22-16-7-4-5-9-18(16)23(20)3;1-21-19(27)26-11-9-25(10-12-26)16-8-7-13(20)17(23-16)18-22-14-5-3-4-6-15(14)24(18)2;1-23-16-7-5-4-6-15(16)21-19(23)18-14(20)8-9-17(22-18)24-10-12-25(13-11-24)27(2,3)26;1-3-24-10-12-25(13-11-24)17-9-8-14(20)18(22-17)19-21-15-6-4-5-7-16(15)23(19)2;1-13-9-11-24(12-10-13)17-8-7-14(20)18(22-17)19-21-15-5-3-4-6-16(15)23(19)2;1-22-17-9-5-4-7-15(17)21-19(22)16-8-6-10-18(20-16)23-11-13-24(14-12-23)26(2,3)25;1-22-9-11-24(12-10-22)16-8-7-13(19)17(21-16)18-20-14-5-3-4-6-15(14)23(18)2;2-1-3/h4-9H,1,10-13H2,2-3H3;4-10H,1,11-14H2,2-3H3;3-8H,9-12H2,1-2H3,(H,21,27);4-9H,2,10-13H2,1,3H3;3-9H,1,10-13H2,2H3;3-8,13H,9-12H2,1-2H3;4-10H,2,11-14H2,1,3H3;3-8H,9-12H2,1-2H3;1H,(H,2,3).

What are the key properties of 2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate?

2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate has a molecular weight of 2942.21 g/mol, XLogP of 22.74, 21 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-chloro-6-(4-ethenylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;2-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;2-[3-chloro-6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]-1-methylbenzimidazole;methyl-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[6-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]benzimidazole;formate is sourced from PubChem (CID 159252064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).