About [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone (PubChem CID 24785705) has the molecular formula C33H30N4O3
and a molecular weight of 530.63 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone.
Molecular Properties
| Compound Name | [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone |
|---|
| PubChem CID | 24785705 |
|---|
| Molecular Formula | C33H30N4O3 |
|---|
| Molecular Weight | 530.63 g/mol |
|---|
| Exact Mass | 530.23 |
|---|
| IUPAC Name | [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone |
|---|
| SMILES | Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)cn2-c2ccc3c(c2)OCCO3)cc1 |
|---|
| InChI | InChI=1S/C33H30N4O3/c1-23-6-8-25(9-7-23)32-34-29(22-37(32)28-12-13-30-31(21-28)40-19-18-39-30)33(38)36-16-14-35(15-17-36)27-11-10-24-4-2-3-5-26(24)20-27/h2-13,20-22H,14-19H2,1H3 |
|---|
| InChIKey | CMVJMSOSNIIAPW-UHFFFAOYSA-N |
|---|
| XLogP | 5.73 |
|---|
| TPSA | 59.83 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 40 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 530.63 |
| LogP ≤ 5 | 5.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone (CID 24785705) is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone is Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)cn2-c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
The InChIKey is CMVJMSOSNIIAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4O3/c1-23-6-8-25(9-7-23)32-34-29(22-37(32)28-12-13-30-31(21-28)40-19-18-39-30)33(38)36-16-14-35(15-17-36)27-11-10-24-4-2-3-5-26(24)20-27/h2-13,20-22H,14-19H2,1H3.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone?
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone has a molecular weight of 530.63 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24785705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).