N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide

C27H27F3N4O2 — CID 143262869

About N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide

N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide (PubChem CID 143262869) has the molecular formula C27H27F3N4O2 and a molecular weight of 496.53 g/mol. Its IUPAC name is N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide.

Molecular Properties

• Compound Name: N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
• PubChem CID: 143262869
• Molecular Formula: C27H27F3N4O2
• Molecular Weight: 496.53 g/mol
• Exact Mass: 496.21
• IUPAC Name: N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
• SMILES: CCc1ccc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCC(C)N4)c3)c2)cc1C(F)(F)F
• InChI: InChI=1S/C27H27F3N4O2/c1-3-19-8-9-20(14-23(19)27(28,29)30)34-25(35)10-7-18-5-4-6-21(13-18)36-22-11-12-31-24(15-22)26-32-16-17(2)33-26/h4-6,8-9,11-15,17H,3,7,10,16H2,1-2H3,(H,32,33)(H,34,35)
• InChIKey: JXYVRJDDSJKXCO-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 75.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.53
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?

The IUPAC name of N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide (CID 143262869) is N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide.

What is the SMILES notation for N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?

The canonical SMILES for N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide is CCc1ccc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCC(C)N4)c3)c2)cc1C(F)(F)F.

What is the InChIKey of N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?

The InChIKey is JXYVRJDDSJKXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O2/c1-3-19-8-9-20(14-23(19)27(28,29)30)34-25(35)10-7-18-5-4-6-21(13-18)36-22-11-12-31-24(15-22)26-32-16-17(2)33-26/h4-6,8-9,11-15,17H,3,7,10,16H2,1-2H3,(H,32,33)(H,34,35).

What are the key properties of N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?

N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide has a molecular weight of 496.53 g/mol, XLogP of 5.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide is sourced from PubChem (CID 143262869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).