4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]ethenol;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanesulfonamide;2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate

C136H152Cl7N35O9S3 — CID 161245947

About 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]ethenol;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanesulfonamide;2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate

4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]ethenol;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanesulfonamide;2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 161245947) has the molecular formula C136H152Cl7N35O9S3 and a molecular weight of 2765.32 g/mol. Its IUPAC name is 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]ethenol;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanesulfonamide;2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]ethenol;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanesulfonamide;2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate
• PubChem CID: 161245947
• Molecular Formula: C136H152Cl7N35O9S3
• Molecular Weight: 2765.32 g/mol
• Exact Mass: 2759.95
• IUPAC Name: 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]ethenol;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanesulfonamide;2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate
• SMILES: C=C(C)N1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.C=C(O)C1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.C=S(C)(=O)N1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.CN(C1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1)S(C)(=O)=O.CNC(=O)N1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.COC(=O)N1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.Cn1c(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc2ccccc21
• InChI: InChI=1S/C20H24ClN5O2S.C20H22ClN5.C20H21ClN4O.C19H21ClN6O.C19H22ClN5O2S.C19H20ClN5O2.C19H22ClN5OS/c1-24-18-7-5-4-6-17(18)23-20(24)15-12-19(22-13-16(15)21)26-10-8-14(9-11-26)25(2)29(3,27)28;1-14(2)25-8-10-26(11-9-25)19-12-15(16(21)13-22-19)20-23-17-6-4-5-7-18(17)24(20)3;1-13(26)14-7-9-25(10-8-14)19-11-15(16(21)12-22-19)20-23-17-5-3-4-6-18(17)24(20)2;1-21-19(27)26-9-7-25(8-10-26)17-11-13(14(20)12-22-17)18-23-15-5-3-4-6-16(15)24(18)2;1-24-17-6-4-3-5-16(17)22-19(24)14-11-18(21-12-15(14)20)25-9-7-13(8-10-25)23-28(2,26)27;1-23-16-6-4-3-5-15(16)22-18(23)13-11-17(21-12-14(13)20)24-7-9-25(10-8-24)19(26)27-2;1-23-17-7-5-4-6-16(17)22-19(23)14-12-18(21-13-15(14)20)24-8-10-25(11-9-24)27(2,3)26/h4-7,12-14H,8-11H2,1-3H3;4-7,12-13H,1,8-11H2,2-3H3;3-6,11-12,14,26H,1,7-10H2,2H3;3-6,11-12H,7-10H2,1-2H3,(H,21,27);3-6,11-13,23H,7-10H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;4-7,12-13H,2,8-11H2,1,3H3
• InChIKey: VAQHCEXCZUSHGK-UHFFFAOYSA-N
• XLogP: 23.08
• TPSA: 426.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 21
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2765.32
LogP ≤ 5	23.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]ethenol;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanesulfonamide;2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate?

The IUPAC name of 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]ethenol;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanesulfonamide;2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate (CID 161245947) is 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]ethenol;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanesulfonamide;2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate.

What is the SMILES notation for 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]ethenol;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanesulfonamide;2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate?

The canonical SMILES for 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]ethenol;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanesulfonamide;2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate is C=C(C)N1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.C=C(O)C1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.C=S(C)(=O)N1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.CN(C1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1)S(C)(=O)=O.CNC(=O)N1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.COC(=O)N1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.Cn1c(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc2ccccc21.

What is the InChIKey of 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]ethenol;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanesulfonamide;2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate?

The InChIKey is VAQHCEXCZUSHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2S.C20H22ClN5.C20H21ClN4O.C19H21ClN6O.C19H22ClN5O2S.C19H20ClN5O2.C19H22ClN5OS/c1-24-18-7-5-4-6-17(18)23-20(24)15-12-19(22-13-16(15)21)26-10-8-14(9-11-26)25(2)29(3,27)28;1-14(2)25-8-10-26(11-9-25)19-12-15(16(21)13-22-19)20-23-17-6-4-5-7-18(17)24(20)3;1-13(26)14-7-9-25(10-8-14)19-11-15(16(21)12-22-19)20-23-17-5-3-4-6-18(17)24(20)2;1-21-19(27)26-9-7-25(8-10-26)17-11-13(14(20)12-22-17)18-23-15-5-3-4-6-16(15)24(18)2;1-24-17-6-4-3-5-16(17)22-19(24)14-11-18(21-12-15(14)20)25-9-7-13(8-10-25)23-28(2,26)27;1-23-16-6-4-3-5-15(16)22-18(23)13-11-17(21-12-14(13)20)24-7-9-25(10-8-24)19(26)27-2;1-23-17-7-5-4-6-16(17)22-19(23)14-12-18(21-13-15(14)20)24-8-10-25(11-9-24)27(2,3)26/h4-7,12-14H,8-11H2,1-3H3;4-7,12-13H,1,8-11H2,2-3H3;3-6,11-12,14,26H,1,7-10H2,2H3;3-6,11-12H,7-10H2,1-2H3,(H,21,27);3-6,11-13,23H,7-10H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;4-7,12-13H,2,8-11H2,1,3H3.

What are the key properties of 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]ethenol;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanesulfonamide;2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate?

4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]ethenol;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanesulfonamide;2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 2765.32 g/mol, XLogP of 23.08, 21 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-methylpiperazine-1-carboxamide;[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]ethenol;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanesulfonamide;2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 161245947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).