C155H178Cl3N37O8S3 — CID 158240077
N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]acetamide;[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane;2-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;methyl-[4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;methyl N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]carbamate;1-methyl-2-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]benzimidazole (PubChem CID 158240077) has the molecular formula C155H178Cl3N37O8S3 and a molecular weight of 2889.94 g/mol. Its IUPAC name is N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]acetamide;[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane;2-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;methyl-[4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;methyl N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]carbamate;1-methyl-2-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]benzimidazole.
| Compound Name | N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]acetamide;[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane;2-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;methyl-[4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;methyl N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]carbamate;1-methyl-2-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]benzimidazole |
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| PubChem CID | 158240077 |
| Molecular Formula | C155H178Cl3N37O8S3 |
| Molecular Weight | 2889.94 g/mol |
| Exact Mass | 2886.29 |
| IUPAC Name | N-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]acetamide;[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methyl-methylidene-oxo-λ6-sulfane;2-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-methylbenzimidazole;N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]acetamide;N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide;methyl-[4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-methylidene-oxo-λ6-sulfane;methyl N-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]carbamate;1-methyl-2-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]benzimidazole |
| SMILES | C=S(C)(=O)C1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.C=S(C)(=O)N1CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1.CC(=O)NC1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.CC(=O)NC1CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1.CC1CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1.COC(=O)NC1CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1.Cn1c(-c2cc(N3CCCCC3)ncc2Cl)nc2ccccc21.Cn1c(-c2ccnc(N3CCC(NS(C)(=O)=O)CC3)c2)nc2ccccc21 |
| InChI | InChI=1S/C20H22ClN5O.C20H23ClN4OS.C20H23N5O2.C20H23N5O.C19H23N5O2S.C19H23N5OS.C19H22N4.C18H19ClN4/c1-13(27)23-14-7-9-26(10-8-14)19-11-15(16(21)12-22-19)20-24-17-5-3-4-6-18(17)25(20)2;1-24-18-7-5-4-6-17(18)23-20(24)15-12-19(22-13-16(15)21)25-10-8-14(9-11-25)27(2,3)26;1-24-17-6-4-3-5-16(17)23-19(24)14-7-10-21-18(13-14)25-11-8-15(9-12-25)22-20(26)27-2;1-14(26)22-16-8-11-25(12-9-16)19-13-15(7-10-21-19)20-23-17-5-3-4-6-18(17)24(20)2;1-23-17-6-4-3-5-16(17)21-19(23)14-7-10-20-18(13-14)24-11-8-15(9-12-24)22-27(2,25)26;1-22-17-7-5-4-6-16(17)21-19(22)15-8-9-20-18(14-15)23-10-12-24(13-11-23)26(2,3)25;1-14-8-11-23(12-9-14)18-13-15(7-10-20-18)19-21-16-5-3-4-6-17(16)22(19)2;1-22-16-8-4-3-7-15(16)21-18(22)13-11-17(20-12-14(13)19)23-9-5-2-6-10-23/h3-6,11-12,14H,7-10H2,1-2H3,(H,23,27);4-7,12-14H,2,8-11H2,1,3H3;3-7,10,13,15H,8-9,11-12H2,1-2H3,(H,22,26);3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,22,26);3-7,10,13,15,22H,8-9,11-12H2,1-2H3;4-9,14H,2,10-13H2,1,3H3;3-7,10,13-14H,8-9,11-12H2,1-2H3;3-4,7-8,11-12H,2,5-6,9-10H2,1H3 |
| InChIKey | GFKZRAGCPUHOPH-UHFFFAOYSA-N |
| XLogP | 25.02 |
| TPSA | 451.68 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 206 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2889.94 |
| LogP ≤ 5 | 25.02 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
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