About [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol
[4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol (PubChem CID 69325741) has the molecular formula C37H42N4O
and a molecular weight of 558.77 g/mol. Its IUPAC name is [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol.
Molecular Properties
| Compound Name | [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol |
|---|
| PubChem CID | 69325741 |
|---|
| Molecular Formula | C37H42N4O |
|---|
| Molecular Weight | 558.77 g/mol |
|---|
| Exact Mass | 558.34 |
|---|
| IUPAC Name | [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol |
|---|
| SMILES | CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CC(NCc1ccc(CO)cc1)c1ccc(N(C)C)cc1 |
|---|
| InChI | InChI=1S/C37H42N4O/c1-4-5-24-41-35(36(31-12-8-6-9-13-31)39-37(41)32-14-10-7-11-15-32)25-34(30-20-22-33(23-21-30)40(2)3)38-26-28-16-18-29(27-42)19-17-28/h6-23,34,38,42H,4-5,24-27H2,1-3H3 |
|---|
| InChIKey | GWDQOUZHNINOBA-UHFFFAOYSA-N |
|---|
| XLogP | 7.65 |
|---|
| TPSA | 53.32 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 13 |
|---|
| Heavy Atoms | 42 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 558.77 |
| LogP ≤ 5 | 7.65 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'} |
|---|
Analyze [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol 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 [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol (CID 69325741) is [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CC(NCc1ccc(CO)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol?
The InChIKey is GWDQOUZHNINOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N4O/c1-4-5-24-41-35(36(31-12-8-6-9-13-31)39-37(41)32-14-10-7-11-15-32)25-34(30-20-22-33(23-21-30)40(2)3)38-26-28-16-18-29(27-42)19-17-28/h6-23,34,38,42H,4-5,24-27H2,1-3H3.
What are the key properties of [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol?
[4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol has a molecular weight of 558.77 g/mol, XLogP of 7.65, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-(3-butyl-2,5-diphenylimidazol-4-yl)-1-[4-(dimethylamino)phenyl]ethyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 69325741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).