5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine
C118H96N20O — CID 158844603
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine
SMILESc1ccc(-c2ccc(C(c3ccco3)n3ccnc3)cn2)cc1.c1ccc(-c2ccc(Cc3cccnc3)cn2)cc1.c1ccc(-c2ccc(Cc3ccncc3)cn2)cc1.c1ccc(-c2ccc(Cc3cncc4ccccc34)cn2)cc1.c1ccc(-c2ccc(Cc3cncnc3)cn2)cc1.c1ccc(-c2ccc(Cn3ccnc3)nn2)cc1.c1ccc(-c2ncc(Cn3ccnc3)cn2)cc1
InChIInChI=1S/C21H16N2.C19H15N3O.2C17H14N2.C16H13N3.2C14H12N4/c1-2-6-17(7-3-1)21-11-10-16(13-23-21)12-19-15-22-14-18-8-4-5-9-20(18)19;1-2-5-15(6-3-1)17-9-8-16(13-21-17)19(18-7-4-12-23-18)22-11-10-20-14-22;1-2-6-16(7-3-1)17-9-8-15(13-19-17)11-14-5-4-10-18-12-14;1-2-4-16(5-3-1)17-7-6-15(13-19-17)12-14-8-10-18-11-9-14;1-2-4-15(5-3-1)16-7-6-13(11-19-16)8-14-9-17-12-18-10-14;1-2-4-13(5-3-1)14-16-8-12(9-17-14)10-18-7-6-15-11-18;1-2-4-12(5-3-1)14-7-6-13(16-17-14)10-18-9-8-15-11-18/h1-11,13-15H,12H2;1-14,19H;1-10,12-13H,11H2;1-11,13H,12H2;1-7,9-12H,8H2;2*1-9,11H,10H2
InChIKeyIYQXIKWGVPISSN-UHFFFAOYSA-N
MW1810.20 g/mol
LogP24.44
Rot. Bonds22
About 5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine
5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine (PubChem CID 158844603) has the molecular formula C118H96N20O and a molecular weight of 1810.20 g/mol. Its IUPAC name is 5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine.
Molecular Properties
| Compound Name | 5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine |
|---|---|
| PubChem CID | 158844603 |
| Molecular Formula | C118H96N20O |
| Molecular Weight | 1810.20 g/mol |
| Exact Mass | 1808.81 |
| IUPAC Name | 5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine |
| SMILES | c1ccc(-c2ccc(C(c3ccco3)n3ccnc3)cn2)cc1.c1ccc(-c2ccc(Cc3cccnc3)cn2)cc1.c1ccc(-c2ccc(Cc3ccncc3)cn2)cc1.c1ccc(-c2ccc(Cc3cncc4ccccc34)cn2)cc1.c1ccc(-c2ccc(Cc3cncnc3)cn2)cc1.c1ccc(-c2ccc(Cn3ccnc3)nn2)cc1.c1ccc(-c2ncc(Cn3ccnc3)cn2)cc1 |
| InChI | InChI=1S/C21H16N2.C19H15N3O.2C17H14N2.C16H13N3.2C14H12N4/c1-2-6-17(7-3-1)21-11-10-16(13-23-21)12-19-15-22-14-18-8-4-5-9-20(18)19;1-2-5-15(6-3-1)17-9-8-16(13-21-17)19(18-7-4-12-23-18)22-11-10-20-14-22;1-2-6-16(7-3-1)17-9-8-15(13-19-17)11-14-5-4-10-18-12-14;1-2-4-16(5-3-1)17-7-6-15(13-19-17)12-14-8-10-18-11-9-14;1-2-4-15(5-3-1)16-7-6-13(11-19-16)8-14-9-17-12-18-10-14;1-2-4-13(5-3-1)14-16-8-12(9-17-14)10-18-7-6-15-11-18;1-2-4-12(5-3-1)14-7-6-13(16-17-14)10-18-9-8-15-11-18/h1-11,13-15H,12H2;1-14,19H;1-10,12-13H,11H2;1-11,13H,12H2;1-7,9-12H,8H2;2*1-9,11H,10H2 |
| InChIKey | IYQXIKWGVPISSN-UHFFFAOYSA-N |
| XLogP | 24.44 |
| TPSA | 247.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 139 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1810.20 |
| LogP ≤ 5 | 24.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |
Frequently Asked Questions
What is the IUPAC name of 5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine?
The IUPAC name of 5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine (CID 158844603) is 5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine.
What is the SMILES notation for 5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine?
The canonical SMILES for 5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine is c1ccc(-c2ccc(C(c3ccco3)n3ccnc3)cn2)cc1.c1ccc(-c2ccc(Cc3cccnc3)cn2)cc1.c1ccc(-c2ccc(Cc3ccncc3)cn2)cc1.c1ccc(-c2ccc(Cc3cncc4ccccc34)cn2)cc1.c1ccc(-c2ccc(Cc3cncnc3)cn2)cc1.c1ccc(-c2ccc(Cn3ccnc3)nn2)cc1.c1ccc(-c2ncc(Cn3ccnc3)cn2)cc1.
What is the InChIKey of 5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine?
The InChIKey is IYQXIKWGVPISSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2.C19H15N3O.2C17H14N2.C16H13N3.2C14H12N4/c1-2-6-17(7-3-1)21-11-10-16(13-23-21)12-19-15-22-14-18-8-4-5-9-20(18)19;1-2-5-15(6-3-1)17-9-8-16(13-21-17)19(18-7-4-12-23-18)22-11-10-20-14-22;1-2-6-16(7-3-1)17-9-8-15(13-19-17)11-14-5-4-10-18-12-14;1-2-4-16(5-3-1)17-7-6-15(13-19-17)12-14-8-10-18-11-9-14;1-2-4-15(5-3-1)16-7-6-13(11-19-16)8-14-9-17-12-18-10-14;1-2-4-13(5-3-1)14-16-8-12(9-17-14)10-18-7-6-15-11-18;1-2-4-12(5-3-1)14-7-6-13(16-17-14)10-18-9-8-15-11-18/h1-11,13-15H,12H2;1-14,19H;1-10,12-13H,11H2;1-11,13H,12H2;1-7,9-12H,8H2;2*1-9,11H,10H2.
What are the key properties of 5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine?
5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine has a molecular weight of 1810.20 g/mol, XLogP of 24.44, 22 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[furan-2-yl(imidazol-1-yl)methyl]-2-phenylpyridine;3-(imidazol-1-ylmethyl)-6-phenylpyridazine;5-(imidazol-1-ylmethyl)-2-phenylpyrimidine;4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline;2-phenyl-5-(pyridin-3-ylmethyl)pyridine;2-phenyl-5-(pyridin-4-ylmethyl)pyridine;5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine is sourced from PubChem (CID 158844603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158844603 — identifiers, structure, computed properties (public domain)
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