About [4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane
[4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane (PubChem CID 174737756) has the molecular formula C19H15N2P
and a molecular weight of 302.32 g/mol. Its IUPAC name is [4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane.
Molecular Properties
| Compound Name | [4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane |
| PubChem CID | 174737756 |
| Molecular Formula | C19H15N2P |
| Molecular Weight | 302.32 g/mol |
| Exact Mass | 302.10 |
| IUPAC Name | [4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane |
| SMILES | Pc1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1 |
| InChI | InChI=1S/C19H15N2P/c22-16-12-10-15(11-13-16)21-18-9-5-4-8-17(18)20-19(21)14-6-2-1-3-7-14/h1-13H,22H2 |
| InChIKey | RAMJGFVYDCDLIL-UHFFFAOYSA-N |
| XLogP | 4.19 |
| TPSA | 17.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 302.32 |
| LogP ≤ 5 | 4.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane?
The IUPAC name of [4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane (CID 174737756) is [4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane.
What is the SMILES notation for [4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane?
The canonical SMILES for [4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane is Pc1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of [4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane?
The InChIKey is RAMJGFVYDCDLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N2P/c22-16-12-10-15(11-13-16)21-18-9-5-4-8-17(18)20-19(21)14-6-2-1-3-7-14/h1-13H,22H2.
What are the key properties of [4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane?
[4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane has a molecular weight of 302.32 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane is sourced from PubChem (CID 174737756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).