About 5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide (PubChem CID 146000137) has the molecular formula C30H30ClN5O2
and a molecular weight of 528.06 g/mol. Its IUPAC name is 5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide.
Molecular Properties
| Compound Name | 5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide |
|---|
| PubChem CID | 146000137 |
|---|
| Molecular Formula | C30H30ClN5O2 |
|---|
| Molecular Weight | 528.06 g/mol |
|---|
| Exact Mass | 527.21 |
|---|
| IUPAC Name | 5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide |
|---|
| SMILES | CC(C)CC1(c2ccccc2)N=C(N)N(Cc2ccc(Cl)c(C(=O)N(C)Cc3ccc(C#N)cc3)c2)C1=O |
|---|
| InChI | InChI=1S/C30H30ClN5O2/c1-20(2)16-30(24-7-5-4-6-8-24)28(38)36(29(33)34-30)19-23-13-14-26(31)25(15-23)27(37)35(3)18-22-11-9-21(17-32)10-12-22/h4-15,20H,16,18-19H2,1-3H3,(H2,33,34) |
|---|
| InChIKey | VGJOPRZXMUZZIB-UHFFFAOYSA-N |
|---|
| XLogP | 5.08 |
|---|
| TPSA | 102.79 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 38 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 528.06 |
| LogP ≤ 5 | 5.08 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze 5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide 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 5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide (CID 146000137) is 5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide is CC(C)CC1(c2ccccc2)N=C(N)N(Cc2ccc(Cl)c(C(=O)N(C)Cc3ccc(C#N)cc3)c2)C1=O.
What is the InChIKey of 5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide?
The InChIKey is VGJOPRZXMUZZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN5O2/c1-20(2)16-30(24-7-5-4-6-8-24)28(38)36(29(33)34-30)19-23-13-14-26(31)25(15-23)27(37)35(3)18-22-11-9-21(17-32)10-12-22/h4-15,20H,16,18-19H2,1-3H3,(H2,33,34).
What are the key properties of 5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide?
5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide has a molecular weight of 528.06 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 146000137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).