C216H204N26O15S2 — CID 173073618
[4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone;4-(3-methoxyphenyl)benzaldehyde (PubChem CID 173073618) has the molecular formula C216H204N26O15S2 and a molecular weight of 3468.31 g/mol. Its IUPAC name is [4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone;4-(3-methoxyphenyl)benzaldehyde.
| Compound Name | [4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone;4-(3-methoxyphenyl)benzaldehyde |
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| PubChem CID | 173073618 |
| Molecular Formula | C216H204N26O15S2 |
| Molecular Weight | 3468.31 g/mol |
| Exact Mass | 3465.54 |
| IUPAC Name | [4-(benzenesulfonyl)phenyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone;[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-2-ylphenyl)methanone;4-(3-methoxyphenyl)benzaldehyde |
| SMILES | CC1(c2nc3ccccc3[nH]2)CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.COCCOc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.COc1cccc(-c2ccc(C=O)cc2)c1.COc1ccccc1-c1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2ccccc2)cc1)N1CCCC(c2nc3ccccc3[nH]2)C1.O=C(c1ccc(-c2ccccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1csc(-c2ccccc2)n1)N1CCC(c2nc3ccccc3[nH]2)CC1 |
| InChI | InChI=1S/C28H29N3O3.C26H25N3O2.2C26H25N3O.C25H23N3O3S.C25H23N3O.C24H22N4O.C22H20N4OS.C14H12O2/c1-33-18-19-34-24-12-10-21(11-13-24)20-6-8-23(9-7-20)28(32)31-16-14-22(15-17-31)27-29-25-4-2-3-5-26(25)30-27;1-31-24-9-5-2-6-21(24)18-10-12-20(13-11-18)26(30)29-16-14-19(15-17-29)25-27-22-7-3-4-8-23(22)28-25;1-26(25-27-22-9-5-6-10-23(22)28-25)15-17-29(18-16-26)24(30)21-13-11-20(12-14-21)19-7-3-2-4-8-19;30-26(22-12-10-21(11-13-22)20-6-2-1-3-7-20)29-16-14-19(15-17-29)18-25-27-23-8-4-5-9-24(23)28-25;29-25(19-10-12-21(13-11-19)32(30,31)20-6-2-1-3-7-20)28-16-14-18(15-17-28)24-26-22-8-4-5-9-23(22)27-24;29-25(20-14-12-19(13-15-20)18-7-2-1-3-8-18)28-16-6-9-21(17-28)24-26-22-10-4-5-11-23(22)27-24;29-24(19-10-8-17(9-11-19)20-5-3-4-14-25-20)28-15-12-18(13-16-28)23-26-21-6-1-2-7-22(21)27-23;27-22(19-14-28-21(25-19)16-6-2-1-3-7-16)26-12-10-15(11-13-26)20-23-17-8-4-5-9-18(17)24-20;1-16-14-4-2-3-13(9-14)12-7-5-11(10-15)6-8-12/h2-13,22H,14-19H2,1H3,(H,29,30);2-13,19H,14-17H2,1H3,(H,27,28);2-14H,15-18H2,1H3,(H,27,28);1-13,19H,14-18H2,(H,27,28);1-13,18H,14-17H2,(H,26,27);1-5,7-8,10-15,21H,6,9,16-17H2,(H,26,27);1-11,14,18H,12-13,15-16H2,(H,26,27);1-9,14-15H,10-13H2,(H,23,24);2-10H,1H3 |
| InChIKey | SIXZOTSPGBAIGP-UHFFFAOYSA-N |
| XLogP | 43.47 |
| TPSA | 505.83 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 259 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3468.31 |
| LogP ≤ 5 | 43.47 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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