4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole
C133H156F16N14O8 — CID 158931831
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole
SMILESCC(C)(C)C(F)(F)OCc1cccc(-c2cccnc2)c1.CC(C)(C)C(F)(F)OCc1cccc(-c2ncccn2)c1.CC(C)(C)C(F)(F)OCc1cccc(-n2cnc(C3CC3)c2)c1.CC(C)(C)C(F)(F)OCc1ccccc1-c1ccc(C2CC2)nc1.CC(C)(C)C(F)(F)OCc1ccccc1-c1cccnc1.CC(C)(C)C(F)(F)OCc1ccccc1-n1cccn1.CC(C)(C)C(F)(F)OCc1ccccc1-n1cncn1.Cc1nccn1-c1ccccc1COC(F)(F)C(C)(C)C
InChIInChI=1S/C20H23F2NO.C18H22F2N2O.2C17H19F2NO.C16H20F2N2O.C16H18F2N2O.C15H18F2N2O.C14H17F2N3O/c1-19(2,3)20(21,22)24-13-16-6-4-5-7-17(16)15-10-11-18(23-12-15)14-8-9-14;1-17(2,3)18(19,20)23-11-13-5-4-6-15(9-13)22-10-16(21-12-22)14-7-8-14;1-16(2,3)17(18,19)21-12-13-6-4-7-14(10-13)15-8-5-9-20-11-15;1-16(2,3)17(18,19)21-12-14-7-4-5-9-15(14)13-8-6-10-20-11-13;1-12-19-9-10-20(12)14-8-6-5-7-13(14)11-21-16(17,18)15(2,3)4;1-15(2,3)16(17,18)21-11-12-6-4-7-13(10-12)14-19-8-5-9-20-14;1-14(2,3)15(16,17)20-11-12-7-4-5-8-13(12)19-10-6-9-18-19;1-13(2,3)14(15,16)20-8-11-6-4-5-7-12(11)19-10-17-9-18-19/h4-7,10-12,14H,8-9,13H2,1-3H3;4-6,9-10,12,14H,7-8,11H2,1-3H3;2*4-11H,12H2,1-3H3;5-10H,11H2,1-4H3;4-10H,11H2,1-3H3;4-10H,11H2,1-3H3;4-7,9-10H,8H2,1-3H3
InChIKeyJJDVQZJZUCYNEM-UHFFFAOYSA-N
MW2382.77 g/mol
LogP36.58
Rot. Bonds34
About 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole
4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole (PubChem CID 158931831) has the molecular formula C133H156F16N14O8 and a molecular weight of 2382.77 g/mol. Its IUPAC name is 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole.
Molecular Properties
| Compound Name | 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole |
|---|---|
| PubChem CID | 158931831 |
| Molecular Formula | C133H156F16N14O8 |
| Molecular Weight | 2382.77 g/mol |
| Exact Mass | 2381.20 |
| IUPAC Name | 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole |
| SMILES | CC(C)(C)C(F)(F)OCc1cccc(-c2cccnc2)c1.CC(C)(C)C(F)(F)OCc1cccc(-c2ncccn2)c1.CC(C)(C)C(F)(F)OCc1cccc(-n2cnc(C3CC3)c2)c1.CC(C)(C)C(F)(F)OCc1ccccc1-c1ccc(C2CC2)nc1.CC(C)(C)C(F)(F)OCc1ccccc1-c1cccnc1.CC(C)(C)C(F)(F)OCc1ccccc1-n1cccn1.CC(C)(C)C(F)(F)OCc1ccccc1-n1cncn1.Cc1nccn1-c1ccccc1COC(F)(F)C(C)(C)C |
| InChI | InChI=1S/C20H23F2NO.C18H22F2N2O.2C17H19F2NO.C16H20F2N2O.C16H18F2N2O.C15H18F2N2O.C14H17F2N3O/c1-19(2,3)20(21,22)24-13-16-6-4-5-7-17(16)15-10-11-18(23-12-15)14-8-9-14;1-17(2,3)18(19,20)23-11-13-5-4-6-15(9-13)22-10-16(21-12-22)14-7-8-14;1-16(2,3)17(18,19)21-12-13-6-4-7-14(10-13)15-8-5-9-20-11-15;1-16(2,3)17(18,19)21-12-14-7-4-5-9-15(14)13-8-6-10-20-11-13;1-12-19-9-10-20(12)14-8-6-5-7-13(14)11-21-16(17,18)15(2,3)4;1-15(2,3)16(17,18)21-11-12-6-4-7-13(10-12)14-19-8-5-9-20-14;1-14(2,3)15(16,17)20-11-12-7-4-5-8-13(12)19-10-6-9-18-19;1-13(2,3)14(15,16)20-8-11-6-4-5-7-12(11)19-10-17-9-18-19/h4-7,10-12,14H,8-9,13H2,1-3H3;4-6,9-10,12,14H,7-8,11H2,1-3H3;2*4-11H,12H2,1-3H3;5-10H,11H2,1-4H3;4-10H,11H2,1-3H3;4-10H,11H2,1-3H3;4-7,9-10H,8H2,1-3H3 |
| InChIKey | JJDVQZJZUCYNEM-UHFFFAOYSA-N |
| XLogP | 36.58 |
| TPSA | 222.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 171 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2382.77 |
| LogP ≤ 5 | 36.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
Frequently Asked Questions
What is the IUPAC name of 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole (CID 158931831) is 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole is CC(C)(C)C(F)(F)OCc1cccc(-c2cccnc2)c1.CC(C)(C)C(F)(F)OCc1cccc(-c2ncccn2)c1.CC(C)(C)C(F)(F)OCc1cccc(-n2cnc(C3CC3)c2)c1.CC(C)(C)C(F)(F)OCc1ccccc1-c1ccc(C2CC2)nc1.CC(C)(C)C(F)(F)OCc1ccccc1-c1cccnc1.CC(C)(C)C(F)(F)OCc1ccccc1-n1cccn1.CC(C)(C)C(F)(F)OCc1ccccc1-n1cncn1.Cc1nccn1-c1ccccc1COC(F)(F)C(C)(C)C.
What is the InChIKey of 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole?
The InChIKey is JJDVQZJZUCYNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO.C18H22F2N2O.2C17H19F2NO.C16H20F2N2O.C16H18F2N2O.C15H18F2N2O.C14H17F2N3O/c1-19(2,3)20(21,22)24-13-16-6-4-5-7-17(16)15-10-11-18(23-12-15)14-8-9-14;1-17(2,3)18(19,20)23-11-13-5-4-6-15(9-13)22-10-16(21-12-22)14-7-8-14;1-16(2,3)17(18,19)21-12-13-6-4-7-14(10-13)15-8-5-9-20-11-15;1-16(2,3)17(18,19)21-12-14-7-4-5-9-15(14)13-8-6-10-20-11-13;1-12-19-9-10-20(12)14-8-6-5-7-13(14)11-21-16(17,18)15(2,3)4;1-15(2,3)16(17,18)21-11-12-6-4-7-13(10-12)14-19-8-5-9-20-14;1-14(2,3)15(16,17)20-11-12-7-4-5-8-13(12)19-10-6-9-18-19;1-13(2,3)14(15,16)20-8-11-6-4-5-7-12(11)19-10-17-9-18-19/h4-7,10-12,14H,8-9,13H2,1-3H3;4-6,9-10,12,14H,7-8,11H2,1-3H3;2*4-11H,12H2,1-3H3;5-10H,11H2,1-4H3;4-10H,11H2,1-3H3;4-10H,11H2,1-3H3;4-7,9-10H,8H2,1-3H3.
What are the key properties of 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole?
4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole has a molecular weight of 2382.77 g/mol, XLogP of 36.58, 34 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]imidazole;2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-2-methylimidazole;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole;3-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;3-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyridine;2-[3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrimidine;1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]-1,2,4-triazole is sourced from PubChem (CID 158931831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158931831 — identifiers, structure, computed properties (public domain)
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