C177H192BrClN22O14 — CID 158326682
6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(1,2-dihydronaphthalen-2-yl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(6-methylnaphthalen-2-yl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 158326682) has the molecular formula C177H192BrClN22O14 and a molecular weight of 2966.98 g/mol. Its IUPAC name is 6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(1,2-dihydronaphthalen-2-yl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(6-methylnaphthalen-2-yl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one.
| Compound Name | 6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(1,2-dihydronaphthalen-2-yl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(6-methylnaphthalen-2-yl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one |
|---|---|
| PubChem CID | 158326682 |
| Molecular Formula | C177H192BrClN22O14 |
| Molecular Weight | 2966.98 g/mol |
| Exact Mass | 2963.39 |
| IUPAC Name | 6-bromo-3-[1-[(2R)-2-methyl-4-oxo-4-[(2S)-2-phenylcyclopropyl]butyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-3-[1-[4-(4-methylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(1,2-dihydronaphthalen-2-yl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-[4-(6-methylnaphthalen-2-yl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-naphthalen-2-yl-4-oxobutyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-6-phenylhex-5-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[1-(4-oxo-4-quinolin-6-ylbutyl)piperidin-4-yl]-1H-benzimidazol-2-one |
| SMILES | C[C@H](CC(=O)C1C[C@@H]1c1ccccc1)CN1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1.Cc1ccc(C(=O)CCCN2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)cc1.Cc1ccc2cc(C(=O)CCCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)ccc2c1.O=C(C#Cc1ccccc1)CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C1C=Cc2ccccc2C1.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2ccccc2c1.O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2ncccc2c1 |
| InChI | InChI=1S/C27H29N3O2.C26H30BrN3O2.C26H29N3O2.C26H27N3O2.C25H26N4O2.C24H25N3O2.C23H26ClN3O2/c1-19-8-9-21-18-22(11-10-20(21)17-19)26(31)7-4-14-29-15-12-23(13-16-29)30-25-6-3-2-5-24(25)28-27(30)32;1-17(13-25(31)22-15-21(22)18-5-3-2-4-6-18)16-29-11-9-20(10-12-29)30-24-8-7-19(27)14-23(24)28-26(30)32;2*30-25(21-12-11-19-6-1-2-7-20(19)18-21)10-5-15-28-16-13-22(14-17-28)29-24-9-4-3-8-23(24)27-26(29)31;30-24(19-9-10-21-18(17-19)5-3-13-26-21)8-4-14-28-15-11-20(12-16-28)29-23-7-2-1-6-22(23)27-25(29)31;28-21(13-12-19-7-2-1-3-8-19)9-6-16-26-17-14-20(15-18-26)27-23-11-5-4-10-22(23)25-24(27)29;1-16-4-6-17(7-5-16)22(28)3-2-12-26-13-10-19(11-14-26)27-21-9-8-18(24)15-20(21)25-23(27)29/h2-3,5-6,8-11,17-18,23H,4,7,12-16H2,1H3,(H,28,32);2-8,14,17,20-22H,9-13,15-16H2,1H3,(H,28,32);1-4,6-9,11-12,21-22H,5,10,13-18H2,(H,27,31);1-4,6-9,11-12,18,22H,5,10,13-17H2,(H,27,31);1-3,5-7,9-10,13,17,20H,4,8,11-12,14-16H2,(H,27,31);1-5,7-8,10-11,20H,6,9,14-18H2,(H,25,29);4-9,15,19H,2-3,10-14H2,1H3,(H,25,29)/t;17-,21-,22?;;;;;/m.1...../s1 |
| InChIKey | GPMLXLFOGLOEMX-XAECTRLISA-N |
| XLogP | 31.34 |
| TPSA | 419.59 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 215 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2966.98 |
| LogP ≤ 5 | 31.34 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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