C151H189Cl3F12N22O17 — CID 158603991
4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride (PubChem CID 158603991) has the molecular formula C151H189Cl3F12N22O17 and a molecular weight of 2918.64 g/mol. Its IUPAC name is 4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride.
| Compound Name | 4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride |
|---|---|
| PubChem CID | 158603991 |
| Molecular Formula | C151H189Cl3F12N22O17 |
| Molecular Weight | 2918.64 g/mol |
| Exact Mass | 2915.35 |
| IUPAC Name | 4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride |
| SMILES | C.Cc1[nH]c(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)nc1Cl.Cc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)o1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cl.Cl.O=C(Nc1ccc(CCN2CCOCC2)cc1C1=CCCCC1)c1nc2ccccc2[nH]1.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F |
| InChI | InChI=1S/C26H30N4O2.C24H30N2O3.C23H29ClN4O2.3C23H30N4O2.4C2HF3O.CH4.2ClH/c31-26(25-27-23-8-4-5-9-24(23)28-25)29-22-11-10-19(12-13-30-14-16-32-17-15-30)18-21(22)20-6-2-1-3-7-20;1-18-7-10-23(29-18)24(27)25-22-9-8-19(11-12-26-13-15-28-16-14-26)17-21(22)20-5-3-2-4-6-20;1-16-21(24)27-22(25-16)23(29)26-20-8-7-17(9-10-28-11-13-30-14-12-28)15-19(20)18-5-3-2-4-6-18;3*1-17-16-24-22(25-17)23(28)26-21-8-7-18(9-10-27-11-13-29-14-12-27)15-20(21)19-5-3-2-4-6-19;4*3-2(4,5)1-6;;;/h4-6,8-11,18H,1-3,7,12-17H2,(H,27,28)(H,29,31);5,7-10,17H,2-4,6,11-16H2,1H3,(H,25,27);5,7-8,15H,2-4,6,9-14H2,1H3,(H,25,27)(H,26,29);3*5,7-8,15-16H,2-4,6,9-14H2,1H3,(H,24,25)(H,26,28);4*1H;1H4;2*1H |
| InChIKey | NIPOMCZPPITLMR-UHFFFAOYSA-N |
| XLogP | 29.65 |
| TPSA | 474.24 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 205 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2918.64 |
| LogP ≤ 5 | 29.65 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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