8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol
C117H105F2N15O6 — CID 157416716
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol
SMILESC.Cc1ccc(Cc2nc3c(C(C)C)nc(-c4ccccc4)cn3c2O)cc1.Cc1ccc(Cc2nc3c(C)nc(-c4ccccc4)cn3c2O)cc1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(F)c(F)c4)cn3c2O)cc1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccco4)cn3c2O)cc1.Cc1nc2c(Cc3ccccc3)nc(-c3ccccc3)cn2c1O
InChIInChI=1S/C27H21F2N3O.C25H21N3O2.C23H23N3O.C21H19N3O.C20H17N3O.CH4/c1-17-7-9-19(10-8-17)14-24-27(33)32-16-25(20-11-12-21(28)22(29)15-20)30-23(26(32)31-24)13-18-5-3-2-4-6-18;1-17-9-11-19(12-10-17)15-21-25(29)28-16-22(23-8-5-13-30-23)26-20(24(28)27-21)14-18-6-3-2-4-7-18;1-15(2)21-22-25-19(13-17-11-9-16(3)10-12-17)23(27)26(22)14-20(24-21)18-7-5-4-6-8-18;1-14-8-10-16(11-9-14)12-18-21(25)24-13-19(17-6-4-3-5-7-17)22-15(2)20(24)23-18;1-14-20(24)23-13-18(16-10-6-3-7-11-16)22-17(19(23)21-14)12-15-8-4-2-5-9-15;/h2-12,15-16,33H,13-14H2,1H3;2-13,16,29H,14-15H2,1H3;4-12,14-15,27H,13H2,1-3H3;3-11,13,25H,12H2,1-2H3;2-11,13,24H,12H2,1H3;1H4
InChIKeyIDFMCQBGZHQTKW-UHFFFAOYSA-N
MW1855.22 g/mol
LogP25.13
Rot. Bonds20
About 8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol
8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol (PubChem CID 157416716) has the molecular formula C117H105F2N15O6 and a molecular weight of 1855.22 g/mol. Its IUPAC name is 8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol.
Molecular Properties
| Compound Name | 8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol |
|---|---|
| PubChem CID | 157416716 |
| Molecular Formula | C117H105F2N15O6 |
| Molecular Weight | 1855.22 g/mol |
| Exact Mass | 1853.83 |
| IUPAC Name | 8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol |
| SMILES | C.Cc1ccc(Cc2nc3c(C(C)C)nc(-c4ccccc4)cn3c2O)cc1.Cc1ccc(Cc2nc3c(C)nc(-c4ccccc4)cn3c2O)cc1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(F)c(F)c4)cn3c2O)cc1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccco4)cn3c2O)cc1.Cc1nc2c(Cc3ccccc3)nc(-c3ccccc3)cn2c1O |
| InChI | InChI=1S/C27H21F2N3O.C25H21N3O2.C23H23N3O.C21H19N3O.C20H17N3O.CH4/c1-17-7-9-19(10-8-17)14-24-27(33)32-16-25(20-11-12-21(28)22(29)15-20)30-23(26(32)31-24)13-18-5-3-2-4-6-18;1-17-9-11-19(12-10-17)15-21-25(29)28-16-22(23-8-5-13-30-23)26-20(24(28)27-21)14-18-6-3-2-4-7-18;1-15(2)21-22-25-19(13-17-11-9-16(3)10-12-17)23(27)26(22)14-20(24-21)18-7-5-4-6-8-18;1-14-8-10-16(11-9-14)12-18-21(25)24-13-19(17-6-4-3-5-7-17)22-15(2)20(24)23-18;1-14-20(24)23-13-18(16-10-6-3-7-11-16)22-17(19(23)21-14)12-15-8-4-2-5-9-15;/h2-12,15-16,33H,13-14H2,1H3;2-13,16,29H,14-15H2,1H3;4-12,14-15,27H,13H2,1-3H3;3-11,13,25H,12H2,1-2H3;2-11,13,24H,12H2,1H3;1H4 |
| InChIKey | IDFMCQBGZHQTKW-UHFFFAOYSA-N |
| XLogP | 25.13 |
| TPSA | 265.24 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 140 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1855.22 |
| LogP ≤ 5 | 25.13 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 21 |
Frequently Asked Questions
What is the IUPAC name of 8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol (CID 157416716) is 8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol is C.Cc1ccc(Cc2nc3c(C(C)C)nc(-c4ccccc4)cn3c2O)cc1.Cc1ccc(Cc2nc3c(C)nc(-c4ccccc4)cn3c2O)cc1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(F)c(F)c4)cn3c2O)cc1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccco4)cn3c2O)cc1.Cc1nc2c(Cc3ccccc3)nc(-c3ccccc3)cn2c1O.
What is the InChIKey of 8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol?
The InChIKey is IDFMCQBGZHQTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N3O.C25H21N3O2.C23H23N3O.C21H19N3O.C20H17N3O.CH4/c1-17-7-9-19(10-8-17)14-24-27(33)32-16-25(20-11-12-21(28)22(29)15-20)30-23(26(32)31-24)13-18-5-3-2-4-6-18;1-17-9-11-19(12-10-17)15-21-25(29)28-16-22(23-8-5-13-30-23)26-20(24(28)27-21)14-18-6-3-2-4-7-18;1-15(2)21-22-25-19(13-17-11-9-16(3)10-12-17)23(27)26(22)14-20(24-21)18-7-5-4-6-8-18;1-14-8-10-16(11-9-14)12-18-21(25)24-13-19(17-6-4-3-5-7-17)22-15(2)20(24)23-18;1-14-20(24)23-13-18(16-10-6-3-7-11-16)22-17(19(23)21-14)12-15-8-4-2-5-9-15;/h2-12,15-16,33H,13-14H2,1H3;2-13,16,29H,14-15H2,1H3;4-12,14-15,27H,13H2,1-3H3;3-11,13,25H,12H2,1-2H3;2-11,13,24H,12H2,1H3;1H4.
What are the key properties of 8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol?
8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol has a molecular weight of 1855.22 g/mol, XLogP of 25.13, 20 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-(3,4-difluorophenyl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;methane;8-methyl-2-[(4-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-methylphenyl)methyl]-6-phenyl-8-propan-2-ylimidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 157416716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157416716 — identifiers, structure, computed properties (public domain)
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