2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum
C140H105N20O5Pt5-5 — CID 157210383
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum
SMILESCC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(C#N)ccn4)ccc3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccc(C#N)cn4)ccc3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccccn4)cc(C#N)c3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ncccc4C#N)ccc3)cccc21.[C-]#[N+]c1cccc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4C(C)C)ccc2)n1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/5C28H21N4O.5Pt/c1-18(2)32-24-14-7-12-21(27(24)31-28(32)22-11-4-5-15-25(22)33)19-9-6-10-20(17-19)23-13-8-16-26(29-3)30-23;1-18(2)32-24-13-6-12-22(27(24)31-28(32)23-11-3-4-14-25(23)33)19-8-5-9-20(16-19)26-21(17-29)10-7-15-30-26;1-18(2)32-25-11-6-10-22(27(25)31-28(32)23-9-3-4-12-26(23)33)20-7-5-8-21(15-20)24-14-13-19(16-29)17-30-24;1-18(2)32-25-11-6-10-22(27(25)31-28(32)23-9-3-4-12-26(23)33)20-7-5-8-21(16-20)24-15-19(17-29)13-14-30-24;1-18(2)32-25-11-7-9-22(27(25)31-28(32)23-8-3-4-12-26(23)33)20-14-19(17-29)15-21(16-20)24-10-5-6-13-30-24;;;;;/h4-16,18,33H,1-2H3;3-15,18,33H,1-2H3;3-14,17-18,33H,1-2H3;2*3-15,18,33H,1-2H3;;;;;/q5*-1;;;;;
InChIKeyUYGGZWURVCATAP-UHFFFAOYSA-N
MW3122.90 g/mol
LogP32.62
Rot. Bonds20
About 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum
2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum (PubChem CID 157210383) has the molecular formula C140H105N20O5Pt5-5 and a molecular weight of 3122.90 g/mol. Its IUPAC name is 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum.
Molecular Properties
| Compound Name | 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum |
|---|---|
| PubChem CID | 157210383 |
| Molecular Formula | C140H105N20O5Pt5-5 |
| Molecular Weight | 3122.90 g/mol |
| Exact Mass | 3120.68 |
| IUPAC Name | 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum |
| SMILES | CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(C#N)ccn4)ccc3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccc(C#N)cn4)ccc3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccccn4)cc(C#N)c3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ncccc4C#N)ccc3)cccc21.[C-]#[N+]c1cccc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4C(C)C)ccc2)n1.[Pt].[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/5C28H21N4O.5Pt/c1-18(2)32-24-14-7-12-21(27(24)31-28(32)22-11-4-5-15-25(22)33)19-9-6-10-20(17-19)23-13-8-16-26(29-3)30-23;1-18(2)32-24-13-6-12-22(27(24)31-28(32)23-11-3-4-14-25(23)33)19-8-5-9-20(16-19)26-21(17-29)10-7-15-30-26;1-18(2)32-25-11-6-10-22(27(25)31-28(32)23-9-3-4-12-26(23)33)20-7-5-8-21(15-20)24-14-13-19(16-29)17-30-24;1-18(2)32-25-11-6-10-22(27(25)31-28(32)23-9-3-4-12-26(23)33)20-7-5-8-21(16-20)24-15-19(17-29)13-14-30-24;1-18(2)32-25-11-7-9-22(27(25)31-28(32)23-8-3-4-12-26(23)33)20-14-19(17-29)15-21(16-20)24-10-5-6-13-30-24;;;;;/h4-16,18,33H,1-2H3;3-15,18,33H,1-2H3;3-14,17-18,33H,1-2H3;2*3-15,18,33H,1-2H3;;;;;/q5*-1;;;;; |
| InChIKey | UYGGZWURVCATAP-UHFFFAOYSA-N |
| XLogP | 32.62 |
| TPSA | 354.22 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 170 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3122.90 |
| LogP ≤ 5 | 32.62 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 24 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum (CID 157210383) is 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum is CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(C#N)ccn4)ccc3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccc(C#N)cn4)ccc3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccccn4)cc(C#N)c3)cccc21.CC(C)n1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ncccc4C#N)ccc3)cccc21.[C-]#[N+]c1cccc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4C(C)C)ccc2)n1.[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum?
The InChIKey is UYGGZWURVCATAP-UHFFFAOYSA-N. The full InChI is InChI=1S/5C28H21N4O.5Pt/c1-18(2)32-24-14-7-12-21(27(24)31-28(32)22-11-4-5-15-25(22)33)19-9-6-10-20(17-19)23-13-8-16-26(29-3)30-23;1-18(2)32-24-13-6-12-22(27(24)31-28(32)23-11-3-4-14-25(23)33)19-8-5-9-20(16-19)26-21(17-29)10-7-15-30-26;1-18(2)32-25-11-6-10-22(27(25)31-28(32)23-9-3-4-12-26(23)33)20-7-5-8-21(15-20)24-14-13-19(16-29)17-30-24;1-18(2)32-25-11-6-10-22(27(25)31-28(32)23-9-3-4-12-26(23)33)20-7-5-8-21(16-20)24-15-19(17-29)13-14-30-24;1-18(2)32-25-11-7-9-22(27(25)31-28(32)23-8-3-4-12-26(23)33)20-14-19(17-29)15-21(16-20)24-10-5-6-13-30-24;;;;;/h4-16,18,33H,1-2H3;3-15,18,33H,1-2H3;3-14,17-18,33H,1-2H3;2*3-15,18,33H,1-2H3;;;;;/q5*-1;;;;;.
What are the key properties of 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum?
2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 3122.90 g/mol, XLogP of 32.62, 20 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;2-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-4-carbonitrile;6-[3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]benzene-2-id-1-yl]pyridine-3-carbonitrile;3-[2-(2-hydroxyphenyl)-1-propan-2-ylbenzimidazol-4-yl]-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;2-[4-[3-(6-isocyano-2-pyridinyl)benzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 157210383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157210383 — identifiers, structure, computed properties (public domain)
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