C137H160Cl6N22O15 — CID 162203329
4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;2-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylic acid;4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxylic acid;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-phenyl-1,3-diazinan-2-one;methyl 2-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzoate;methyl 2-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylate (PubChem CID 162203329) has the molecular formula C137H160Cl6N22O15 and a molecular weight of 2567.64 g/mol. Its IUPAC name is 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;2-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylic acid;4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxylic acid;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-phenyl-1,3-diazinan-2-one;methyl 2-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzoate;methyl 2-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylate.
| Compound Name | 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;2-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylic acid;4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxylic acid;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-phenyl-1,3-diazinan-2-one;methyl 2-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzoate;methyl 2-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylate |
|---|---|
| PubChem CID | 162203329 |
| Molecular Formula | C137H160Cl6N22O15 |
| Molecular Weight | 2567.64 g/mol |
| Exact Mass | 2563.06 |
| IUPAC Name | 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;2-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylic acid;4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxylic acid;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-phenyl-1,3-diazinan-2-one;methyl 2-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzoate;methyl 2-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylate |
| SMILES | COC(=O)c1ccccc1N1CCN(C2CCC(CN)(c3cccc(Cl)c3)CC2)C1=O.COC(=O)c1ccnc(N2CCN(C3CCC(CN)(c4cccc(Cl)c4)CC3)C2=O)c1.NCC1(c2cccc(Cl)c2)CCC(N2CCCN(c3ccccc3)C2=O)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3cc(C(=O)O)ccn3)C2=O)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccc(C(N)=O)cc3)C2=O)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccnc(C(=O)O)c3)C2=O)CC1 |
| InChI | InChI=1S/C24H28ClN3O3.C23H27ClN4O3.C23H27ClN4O2.C23H28ClN3O.2C22H25ClN4O3/c1-31-22(29)20-7-2-3-8-21(20)28-14-13-27(23(28)30)19-9-11-24(16-26,12-10-19)17-5-4-6-18(25)15-17;1-31-21(29)16-7-10-26-20(13-16)28-12-11-27(22(28)30)19-5-8-23(15-25,9-6-19)17-3-2-4-18(24)14-17;24-18-3-1-2-17(14-18)23(15-25)10-8-20(9-11-23)28-13-12-27(22(28)30)19-6-4-16(5-7-19)21(26)29;24-19-7-4-6-18(16-19)23(17-25)12-10-21(11-13-23)27-15-5-14-26(22(27)28)20-8-2-1-3-9-20;23-17-3-1-2-16(13-17)22(14-24)7-4-18(5-8-22)26-10-11-27(21(26)30)19-12-15(20(28)29)6-9-25-19;23-16-3-1-2-15(12-16)22(14-24)7-4-17(5-8-22)26-10-11-27(21(26)30)18-6-9-25-19(13-18)20(28)29/h2-8,15,19H,9-14,16,26H2,1H3;2-4,7,10,13-14,19H,5-6,8-9,11-12,15,25H2,1H3;1-7,14,20H,8-13,15,25H2,(H2,26,29);1-4,6-9,16,21H,5,10-15,17,25H2;1-3,6,9,12-13,18H,4-5,7-8,10-11,14,24H2,(H,28,29);1-3,6,9,12-13,17H,4-5,7-8,10-11,14,24H2,(H,28,29) |
| InChIKey | ZRWFPBOIZRHLQS-UHFFFAOYSA-N |
| XLogP | 23.17 |
| TPSA | 506.38 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 180 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2567.64 |
| LogP ≤ 5 | 23.17 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 22 |