C162H151F2N21O32 — CID 159899435
3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-[4-(1,1-difluoroethyl)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-[4-(dimethylamino)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]benzoic acid;bis(3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid);3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]benzoic acid;3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]benzoic acid (PubChem CID 159899435) has the molecular formula C162H151F2N21O32 and a molecular weight of 2942.10 g/mol. Its IUPAC name is 3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-[4-(1,1-difluoroethyl)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-[4-(dimethylamino)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]benzoic acid;bis(3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid);3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]benzoic acid;3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]benzoic acid.
| Compound Name | 3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-[4-(1,1-difluoroethyl)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-[4-(dimethylamino)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]benzoic acid;bis(3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid);3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]benzoic acid;3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]benzoic acid |
|---|---|
| PubChem CID | 159899435 |
| Molecular Formula | C162H151F2N21O32 |
| Molecular Weight | 2942.10 g/mol |
| Exact Mass | 2940.08 |
| IUPAC Name | 3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-[4-(1,1-difluoroethyl)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-[4-(dimethylamino)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid;3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]benzoic acid;bis(3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid);3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]benzoic acid;3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]benzoic acid |
| SMILES | CC(F)(F)c1ccc(N2CCN(c3cccc(C(=O)O)c3)C2=O)cc1.CN(C)c1ccc(N2CCN(c3cccc(C(=O)O)c3)C2=O)cc1.COc1ccc(N2CCN(c3cccc(C(=O)O)c3)C2=O)cc1.Cc1ccc(N2CCN(c3cccc(C(=O)O)c3)C2=O)cc1.Cc1ccc(N2CCN(c3cccc(C(=O)O)c3)C2=O)cc1.O=C(O)c1cccc(N2CCN(c3ccc(-n4cccc4)cc3)C2=O)c1.O=C(O)c1cccc(N2CCN(c3ccc(N4CCCC4)cc3)C2=O)c1.O=C(O)c1cccc(N2CCN(c3ccc4c(c3)OCCO4)C2=O)c1.O=C(O)c1cccc(N2CCN(c3ccc4c(c3)OCO4)C2=O)c1 |
| InChI | InChI=1S/C20H21N3O3.C20H17N3O3.C18H16F2N2O3.C18H19N3O3.C18H16N2O5.C17H14N2O5.C17H16N2O4.2C17H16N2O3/c2*24-19(25)15-4-3-5-18(14-15)23-13-12-22(20(23)26)17-8-6-16(7-9-17)21-10-1-2-11-21;1-18(19,20)13-5-7-14(8-6-13)21-9-10-22(17(21)25)15-4-2-3-12(11-15)16(23)24;1-19(2)14-6-8-15(9-7-14)20-10-11-21(18(20)24)16-5-3-4-13(12-16)17(22)23;21-17(22)12-2-1-3-13(10-12)19-6-7-20(18(19)23)14-4-5-15-16(11-14)25-9-8-24-15;20-16(21)11-2-1-3-12(8-11)18-6-7-19(17(18)22)13-4-5-14-15(9-13)24-10-23-14;1-23-15-7-5-13(6-8-15)18-9-10-19(17(18)22)14-4-2-3-12(11-14)16(20)21;2*1-12-5-7-14(8-6-12)18-9-10-19(17(18)22)15-4-2-3-13(11-15)16(20)21/h3-9,14H,1-2,10-13H2,(H,24,25);1-11,14H,12-13H2,(H,24,25);2-8,11H,9-10H2,1H3,(H,23,24);3-9,12H,10-11H2,1-2H3,(H,22,23);1-5,10-11H,6-9H2,(H,21,22);1-5,8-9H,6-7,10H2,(H,20,21);2-8,11H,9-10H2,1H3,(H,20,21);2*2-8,11H,9-10H2,1H3,(H,20,21) |
| InChIKey | NVTNMDARSKKIMK-UHFFFAOYSA-N |
| XLogP | 28.18 |
| TPSA | 605.21 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 217 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2942.10 |
| LogP ≤ 5 | 28.18 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'} |
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