(5Z,7E)-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]deca-5,7,9-trienamide;ethane

C28H33F3N4O2 — CID 143262907

About (5Z,7E)-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]deca-5,7,9-trienamide;ethane

(5Z,7E)-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]deca-5,7,9-trienamide;ethane (PubChem CID 143262907) has the molecular formula C28H33F3N4O2 and a molecular weight of 514.59 g/mol. Its IUPAC name is (5Z,7E)-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]deca-5,7,9-trienamide;ethane.

Molecular Properties

• Compound Name: (5Z,7E)-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]deca-5,7,9-trienamide;ethane
• PubChem CID: 143262907
• Molecular Formula: C28H33F3N4O2
• Molecular Weight: 514.59 g/mol
• Exact Mass: 514.26
• IUPAC Name: (5Z,7E)-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]deca-5,7,9-trienamide;ethane
• SMILES: C=C/C(=C\C=C/CCCC(=O)Nc1ccc(C)c(C(F)(F)F)c1)Oc1ccnc(C2=NCCN2)c1.CC
• InChI: InChI=1S/C26H27F3N4O2.C2H6/c1-3-20(35-21-12-13-30-23(17-21)25-31-14-15-32-25)8-6-4-5-7-9-24(34)33-19-11-10-18(2)22(16-19)26(27,28)29;1-2/h3-4,6,8,10-13,16-17H,1,5,7,9,14-15H2,2H3,(H,31,32)(H,33,34);1-2H3/b6-4-,20-8+
• InChIKey: TZQONHNOHVZRKX-QUAAVFJASA-N
• XLogP: 6.60
• TPSA: 75.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.59
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]deca-5,7,9-trienamide;ethane?

The IUPAC name of (5Z,7E)-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]deca-5,7,9-trienamide;ethane (CID 143262907) is (5Z,7E)-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]deca-5,7,9-trienamide;ethane.

What is the SMILES notation for (5Z,7E)-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]deca-5,7,9-trienamide;ethane?

The canonical SMILES for (5Z,7E)-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]deca-5,7,9-trienamide;ethane is C=C/C(=C\C=C/CCCC(=O)Nc1ccc(C)c(C(F)(F)F)c1)Oc1ccnc(C2=NCCN2)c1.CC.

What is the InChIKey of (5Z,7E)-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]deca-5,7,9-trienamide;ethane?

The InChIKey is TZQONHNOHVZRKX-QUAAVFJASA-N. The full InChI is InChI=1S/C26H27F3N4O2.C2H6/c1-3-20(35-21-12-13-30-23(17-21)25-31-14-15-32-25)8-6-4-5-7-9-24(34)33-19-11-10-18(2)22(16-19)26(27,28)29;1-2/h3-4,6,8,10-13,16-17H,1,5,7,9,14-15H2,2H3,(H,31,32)(H,33,34);1-2H3/b6-4-,20-8+;.

What are the key properties of (5Z,7E)-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]deca-5,7,9-trienamide;ethane?

(5Z,7E)-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]deca-5,7,9-trienamide;ethane has a molecular weight of 514.59 g/mol, XLogP of 6.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z,7E)-8-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]deca-5,7,9-trienamide;ethane is sourced from PubChem (CID 143262907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).