About N-(2-ethylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine
N-(2-ethylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine (PubChem CID 70860354) has the molecular formula C25H23F3N6O
and a molecular weight of 480.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine.
Molecular Properties
| Compound Name | N-(2-ethylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine |
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| PubChem CID | 70860354 |
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| Molecular Formula | C25H23F3N6O |
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| Molecular Weight | 480.49 g/mol |
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| Exact Mass | 480.19 |
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| IUPAC Name | N-(2-ethylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine |
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| SMILES | CCc1ccccc1Nc1nc2cc(Oc3ccnc(C4=NCC(C(F)(F)F)N4)c3)ccc2n1C |
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| InChI | InChI=1S/C25H23F3N6O/c1-3-15-6-4-5-7-18(15)31-24-32-19-12-16(8-9-21(19)34(24)2)35-17-10-11-29-20(13-17)23-30-14-22(33-23)25(26,27)28/h4-13,22H,3,14H2,1-2H3,(H,30,33)(H,31,32) |
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| InChIKey | KOCSYLDEGOOKDE-UHFFFAOYSA-N |
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| XLogP | 5.35 |
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| TPSA | 76.36 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 480.49 |
| LogP ≤ 5 | 5.35 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-(2-ethylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?
The IUPAC name of N-(2-ethylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine (CID 70860354) is N-(2-ethylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine.
What is the SMILES notation for N-(2-ethylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?
The canonical SMILES for N-(2-ethylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine is CCc1ccccc1Nc1nc2cc(Oc3ccnc(C4=NCC(C(F)(F)F)N4)c3)ccc2n1C.
What is the InChIKey of N-(2-ethylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?
The InChIKey is KOCSYLDEGOOKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O/c1-3-15-6-4-5-7-18(15)31-24-32-19-12-16(8-9-21(19)34(24)2)35-17-10-11-29-20(13-17)23-30-14-22(33-23)25(26,27)28/h4-13,22H,3,14H2,1-2H3,(H,30,33)(H,31,32).
What are the key properties of N-(2-ethylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?
N-(2-ethylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine has a molecular weight of 480.49 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-methyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine is sourced from PubChem (CID 70860354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).