About 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2-fluorophenyl)-2-(4-fluorophenyl)hydrazine
1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2-fluorophenyl)-2-(4-fluorophenyl)hydrazine (PubChem CID 91082934) has the molecular formula C42H32Cl4F2N8
and a molecular weight of 828.58 g/mol. Its IUPAC name is 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2-fluorophenyl)-2-(4-fluorophenyl)hydrazine.
Molecular Properties
| Compound Name | 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2-fluorophenyl)-2-(4-fluorophenyl)hydrazine |
|---|
| PubChem CID | 91082934 |
|---|
| Molecular Formula | C42H32Cl4F2N8 |
|---|
| Molecular Weight | 828.58 g/mol |
|---|
| Exact Mass | 826.15 |
|---|
| IUPAC Name | 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2-fluorophenyl)-2-(4-fluorophenyl)hydrazine |
|---|
| SMILES | CCCn1c(-c2cnc(N(c3ccc(F)cc3)N(c3ccccc3F)c3ncc(-c4nc5cccc(Cl)c5n4CCC)cc3Cl)c(Cl)c2)nc2cccc(Cl)c21 |
|---|
| InChI | InChI=1S/C42H32Cl4F2N8/c1-3-19-53-37-29(43)9-7-12-34(37)51-39(53)25-21-31(45)41(49-23-25)55(28-17-15-27(47)16-18-28)56(36-14-6-5-11-33(36)48)42-32(46)22-26(24-50-42)40-52-35-13-8-10-30(44)38(35)54(40)20-4-2/h5-18,21-24H,3-4,19-20H2,1-2H3 |
|---|
| InChIKey | YUXLGIMGSSDLET-UHFFFAOYSA-N |
|---|
| XLogP | 13.11 |
|---|
| TPSA | 67.90 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 11 |
|---|
| Heavy Atoms | 56 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 828.58 |
| LogP ≤ 5 | 13.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2-fluorophenyl)-2-(4-fluorophenyl)hydrazine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2-fluorophenyl)-2-(4-fluorophenyl)hydrazine?
The IUPAC name of 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2-fluorophenyl)-2-(4-fluorophenyl)hydrazine (CID 91082934) is 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2-fluorophenyl)-2-(4-fluorophenyl)hydrazine.
What is the SMILES notation for 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2-fluorophenyl)-2-(4-fluorophenyl)hydrazine?
The canonical SMILES for 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2-fluorophenyl)-2-(4-fluorophenyl)hydrazine is CCCn1c(-c2cnc(N(c3ccc(F)cc3)N(c3ccccc3F)c3ncc(-c4nc5cccc(Cl)c5n4CCC)cc3Cl)c(Cl)c2)nc2cccc(Cl)c21.
What is the InChIKey of 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2-fluorophenyl)-2-(4-fluorophenyl)hydrazine?
The InChIKey is YUXLGIMGSSDLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32Cl4F2N8/c1-3-19-53-37-29(43)9-7-12-34(37)51-39(53)25-21-31(45)41(49-23-25)55(28-17-15-27(47)16-18-28)56(36-14-6-5-11-33(36)48)42-32(46)22-26(24-50-42)40-52-35-13-8-10-30(44)38(35)54(40)20-4-2/h5-18,21-24H,3-4,19-20H2,1-2H3.
What are the key properties of 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2-fluorophenyl)-2-(4-fluorophenyl)hydrazine?
1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2-fluorophenyl)-2-(4-fluorophenyl)hydrazine has a molecular weight of 828.58 g/mol, XLogP of 13.11, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2-fluorophenyl)-2-(4-fluorophenyl)hydrazine is sourced from PubChem (CID 91082934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).