C125H168BrClF3N23O11 — CID 161366641
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxolan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea (PubChem CID 161366641) has the molecular formula C125H168BrClF3N23O11 and a molecular weight of 2341.22 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxolan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea.
| Compound Name | 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxolan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea |
|---|---|
| PubChem CID | 161366641 |
| Molecular Formula | C125H168BrClF3N23O11 |
| Molecular Weight | 2341.22 g/mol |
| Exact Mass | 2338.21 |
| IUPAC Name | 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxolan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-bromopyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[(1R,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-naphthalen-2-ylurea |
| SMILES | CN1C(=O)[C@@](C)(C[C@H]2CCC[C@@H](NC(=O)Nc3ccc4ccccc4c3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)Nc3cccc(C(F)(F)F)c3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccnc(Br)c3)C2)N=C1N.COc1cccc(NC(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)c1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CC1CCCO1 |
| InChI | InChI=1S/C27H38F3N5O2.C27H41N5O3.C25H36BrN5O2.C23H24ClN3O2.C23H29N5O2/c1-35-23(36)26(34-24(35)31,14-13-18-7-3-2-4-8-18)17-19-9-5-11-21(15-19)32-25(37)33-22-12-6-10-20(16-22)27(28,29)30;1-32-24(33)27(31-25(32)28,15-14-19-8-4-3-5-9-19)18-20-10-6-11-21(16-20)29-26(34)30-22-12-7-13-23(17-22)35-2;1-31-23(33)25(30-24(31)27,12-10-17-6-3-2-4-7-17)16-18-8-5-9-20(14-18)29-22(32)19-11-13-28-21(26)15-19;24-19-7-2-5-16(13-19)15-4-1-6-18(12-15)23(17-9-10-17)21(28)27(22(25)26-23)14-20-8-3-11-29-20;1-23(20(29)28(2)21(24)27-23)14-15-6-5-9-18(12-15)25-22(30)26-19-11-10-16-7-3-4-8-17(16)13-19/h6,10,12,16,18-19,21H,2-5,7-9,11,13-15,17H2,1H3,(H2,31,34)(H2,32,33,37);7,12-13,17,19-21H,3-6,8-11,14-16,18H2,1-2H3,(H2,28,31)(H2,29,30,34);11,13,15,17-18,20H,2-10,12,14,16H2,1H3,(H2,27,30)(H,29,32);1-2,4-7,12-13,17,20H,3,8-11,14H2,(H2,25,26);3-4,7-8,10-11,13,15,18H,5-6,9,12,14H2,1-2H3,(H2,24,27)(H2,25,26,30)/t19-,21+,26+;20-,21+,27+;18-,20+,25+;;15-,18+,23+/m000.0/s1 |
| InChIKey | VPXABSCOLBHGFS-VIIWKFJGSA-N |
| XLogP | 22.13 |
| TPSA | 477.29 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2341.22 |
| LogP ≤ 5 | 22.13 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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