5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
C142H124ClF2N19O19S6 — CID 158871258
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
SMILESCCc1cc(COc2ccc(Sc3cnccc3C3NC(=O)NC3=O)cc2)ccn1.COc1ccc(CN2C(=O)NC(c3cnccc3Sc3ccc(OCc4cccc(C)c4)cc3)C2=O)cc1.Cc1cccc(COc2ccc(Sc3ccncc3C3C(=O)N(C)C(=O)N3C)cc2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)c(Cl)c2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)c(F)c2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2F)c1
InChIInChI=1S/C30H27N3O4S.C24H23N3O3S.C22H18ClN3O3S.2C22H18FN3O3S.C22H20N4O3S/c1-20-4-3-5-22(16-20)19-37-24-10-12-25(13-11-24)38-27-14-15-31-17-26(27)28-29(34)33(30(35)32-28)18-21-6-8-23(36-2)9-7-21;1-16-5-4-6-17(13-16)15-30-18-7-9-19(10-8-18)31-21-11-12-25-14-20(21)22-23(28)27(3)24(29)26(22)2;2*1-13-3-2-4-14(9-13)12-29-15-5-6-19(17(23)10-15)30-18-7-8-24-11-16(18)20-21(27)26-22(28)25-20;1-13-3-2-4-14(9-13)12-29-18-6-5-15(10-17(18)23)30-19-7-8-24-11-16(19)20-21(27)26-22(28)25-20;1-2-15-11-14(7-10-24-15)13-29-16-3-5-17(6-4-16)30-19-12-23-9-8-18(19)20-21(27)26-22(28)25-20/h3-17,28H,18-19H2,1-2H3,(H,32,35);4-14,22H,15H2,1-3H3;3*2-11,20H,12H2,1H3,(H2,25,26,27,28);3-12,20H,2,13H2,1H3,(H2,25,26,27,28)
InChIKeyJBWJLBMLIQTCKN-UHFFFAOYSA-N
MW2666.52 g/mol
LogP27.19
Rot. Bonds40
About 5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 158871258) has the molecular formula C142H124ClF2N19O19S6 and a molecular weight of 2666.52 g/mol. Its IUPAC name is 5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione.
Molecular Properties
| Compound Name | 5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione |
|---|---|
| PubChem CID | 158871258 |
| Molecular Formula | C142H124ClF2N19O19S6 |
| Molecular Weight | 2666.52 g/mol |
| Exact Mass | 2663.73 |
| IUPAC Name | 5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione |
| SMILES | CCc1cc(COc2ccc(Sc3cnccc3C3NC(=O)NC3=O)cc2)ccn1.COc1ccc(CN2C(=O)NC(c3cnccc3Sc3ccc(OCc4cccc(C)c4)cc3)C2=O)cc1.Cc1cccc(COc2ccc(Sc3ccncc3C3C(=O)N(C)C(=O)N3C)cc2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)c(Cl)c2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)c(F)c2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2F)c1 |
| InChI | InChI=1S/C30H27N3O4S.C24H23N3O3S.C22H18ClN3O3S.2C22H18FN3O3S.C22H20N4O3S/c1-20-4-3-5-22(16-20)19-37-24-10-12-25(13-11-24)38-27-14-15-31-17-26(27)28-29(34)33(30(35)32-28)18-21-6-8-23(36-2)9-7-21;1-16-5-4-6-17(13-16)15-30-18-7-9-19(10-8-18)31-21-11-12-25-14-20(21)22-23(28)27(3)24(29)26(22)2;2*1-13-3-2-4-14(9-13)12-29-15-5-6-19(17(23)10-15)30-18-7-8-24-11-16(18)20-21(27)26-22(28)25-20;1-13-3-2-4-14(9-13)12-29-18-6-5-15(10-17(18)23)30-19-7-8-24-11-16(19)20-21(27)26-22(28)25-20;1-2-15-11-14(7-10-24-15)13-29-16-3-5-17(6-4-16)30-19-12-23-9-8-18(19)20-21(27)26-22(28)25-20/h3-17,28H,18-19H2,1-2H3,(H,32,35);4-14,22H,15H2,1-3H3;3*2-11,20H,12H2,1H3,(H2,25,26,27,28);3-12,20H,2,13H2,1H3,(H2,25,26,27,28) |
| InChIKey | JBWJLBMLIQTCKN-UHFFFAOYSA-N |
| XLogP | 27.19 |
| TPSA | 477.67 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 189 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2666.52 |
| LogP ≤ 5 | 27.19 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 32 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione (CID 158871258) is 5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione is CCc1cc(COc2ccc(Sc3cnccc3C3NC(=O)NC3=O)cc2)ccn1.COc1ccc(CN2C(=O)NC(c3cnccc3Sc3ccc(OCc4cccc(C)c4)cc3)C2=O)cc1.Cc1cccc(COc2ccc(Sc3ccncc3C3C(=O)N(C)C(=O)N3C)cc2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)c(Cl)c2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)c(F)c2)c1.Cc1cccc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2F)c1.
What is the InChIKey of 5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is JBWJLBMLIQTCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4S.C24H23N3O3S.C22H18ClN3O3S.2C22H18FN3O3S.C22H20N4O3S/c1-20-4-3-5-22(16-20)19-37-24-10-12-25(13-11-24)38-27-14-15-31-17-26(27)28-29(34)33(30(35)32-28)18-21-6-8-23(36-2)9-7-21;1-16-5-4-6-17(13-16)15-30-18-7-9-19(10-8-18)31-21-11-12-25-14-20(21)22-23(28)27(3)24(29)26(22)2;2*1-13-3-2-4-14(9-13)12-29-15-5-6-19(17(23)10-15)30-18-7-8-24-11-16(18)20-21(27)26-22(28)25-20;1-13-3-2-4-14(9-13)12-29-18-6-5-15(10-17(18)23)30-19-7-8-24-11-16(19)20-21(27)26-22(28)25-20;1-2-15-11-14(7-10-24-15)13-29-16-3-5-17(6-4-16)30-19-12-23-9-8-18(19)20-21(27)26-22(28)25-20/h3-17,28H,18-19H2,1-2H3,(H,32,35);4-14,22H,15H2,1-3H3;3*2-11,20H,12H2,1H3,(H2,25,26,27,28);3-12,20H,2,13H2,1H3,(H2,25,26,27,28).
What are the key properties of 5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione?
5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 2666.52 g/mol, XLogP of 27.19, 40 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-chloro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;1,3-dimethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(2-ethyl-4-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione;5-[4-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158871258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158871258 — identifiers, structure, computed properties (public domain)
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