About 1-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
1-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine (PubChem CID 57399335) has the molecular formula C24H16F6N6O
and a molecular weight of 518.42 g/mol. Its IUPAC name is 1-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine.
Molecular Properties
| Compound Name | 1-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine |
|---|
| PubChem CID | 57399335 |
|---|
| Molecular Formula | C24H16F6N6O |
|---|
| Molecular Weight | 518.42 g/mol |
|---|
| Exact Mass | 518.13 |
|---|
| IUPAC Name | 1-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine |
|---|
| SMILES | Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2ccc(Oc3ccnc(-c4cnc(C(F)(F)F)[nH]4)c3)cc21 |
|---|
| InChI | InChI=1S/C24H16F6N6O/c1-36-20-11-15(37-16-8-9-31-18(10-16)19-12-32-21(34-19)24(28,29)30)6-7-17(20)35-22(36)33-14-4-2-13(3-5-14)23(25,26)27/h2-12H,1H3,(H,32,34)(H,33,35) |
|---|
| InChIKey | HRCJMYWMDPFSHS-UHFFFAOYSA-N |
|---|
| XLogP | 6.93 |
|---|
| TPSA | 80.65 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 518.42 |
| LogP ≤ 5 | 6.93 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 1-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine 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-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The IUPAC name of 1-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine (CID 57399335) is 1-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine.
What is the SMILES notation for 1-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The canonical SMILES for 1-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine is Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2ccc(Oc3ccnc(-c4cnc(C(F)(F)F)[nH]4)c3)cc21.
What is the InChIKey of 1-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The InChIKey is HRCJMYWMDPFSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N6O/c1-36-20-11-15(37-16-8-9-31-18(10-16)19-12-32-21(34-19)24(28,29)30)6-7-17(20)35-22(36)33-14-4-2-13(3-5-14)23(25,26)27/h2-12H,1H3,(H,32,34)(H,33,35).
What are the key properties of 1-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
1-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine has a molecular weight of 518.42 g/mol, XLogP of 6.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 57399335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).