About [6-chloro-3-[5-[(4-chlorophenyl)methyl]-3-phenylimidazol-4-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone
[6-chloro-3-[5-[(4-chlorophenyl)methyl]-3-phenylimidazol-4-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone (PubChem CID 90667002) has the molecular formula C35H38Cl2N6O
and a molecular weight of 629.64 g/mol. Its IUPAC name is [6-chloro-3-[5-[(4-chlorophenyl)methyl]-3-phenylimidazol-4-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone.
Molecular Properties
| Compound Name | [6-chloro-3-[5-[(4-chlorophenyl)methyl]-3-phenylimidazol-4-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone |
|---|
| PubChem CID | 90667002 |
|---|
| Molecular Formula | C35H38Cl2N6O |
|---|
| Molecular Weight | 629.64 g/mol |
|---|
| Exact Mass | 628.25 |
|---|
| IUPAC Name | [6-chloro-3-[5-[(4-chlorophenyl)methyl]-3-phenylimidazol-4-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone |
|---|
| SMILES | CN(C)CCCN(C)C1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(Cc3ccc(Cl)cc3)ncn2-c2ccccc2)C1 |
|---|
| InChI | InChI=1S/C35H38Cl2N6O/c1-40(2)17-7-18-41(3)28-16-19-42(22-28)35(44)33-32(29-15-14-26(37)21-30(29)39-33)34-31(20-24-10-12-25(36)13-11-24)38-23-43(34)27-8-5-4-6-9-27/h4-6,8-15,21,23,28,39H,7,16-20,22H2,1-3H3 |
|---|
| InChIKey | ZOCJVKXBNHCCQK-UHFFFAOYSA-N |
|---|
| XLogP | 7.02 |
|---|
| TPSA | 60.40 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 44 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 629.64 |
| LogP ≤ 5 | 7.02 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze [6-chloro-3-[5-[(4-chlorophenyl)methyl]-3-phenylimidazol-4-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-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 [6-chloro-3-[5-[(4-chlorophenyl)methyl]-3-phenylimidazol-4-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone?
The IUPAC name of [6-chloro-3-[5-[(4-chlorophenyl)methyl]-3-phenylimidazol-4-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone (CID 90667002) is [6-chloro-3-[5-[(4-chlorophenyl)methyl]-3-phenylimidazol-4-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-chloro-3-[5-[(4-chlorophenyl)methyl]-3-phenylimidazol-4-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-chloro-3-[5-[(4-chlorophenyl)methyl]-3-phenylimidazol-4-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone is CN(C)CCCN(C)C1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(Cc3ccc(Cl)cc3)ncn2-c2ccccc2)C1.
What is the InChIKey of [6-chloro-3-[5-[(4-chlorophenyl)methyl]-3-phenylimidazol-4-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone?
The InChIKey is ZOCJVKXBNHCCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38Cl2N6O/c1-40(2)17-7-18-41(3)28-16-19-42(22-28)35(44)33-32(29-15-14-26(37)21-30(29)39-33)34-31(20-24-10-12-25(36)13-11-24)38-23-43(34)27-8-5-4-6-9-27/h4-6,8-15,21,23,28,39H,7,16-20,22H2,1-3H3.
What are the key properties of [6-chloro-3-[5-[(4-chlorophenyl)methyl]-3-phenylimidazol-4-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone?
[6-chloro-3-[5-[(4-chlorophenyl)methyl]-3-phenylimidazol-4-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone has a molecular weight of 629.64 g/mol, XLogP of 7.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-[5-[(4-chlorophenyl)methyl]-3-phenylimidazol-4-yl]-1H-indol-2-yl]-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 90667002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).