N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxy-3-methylphenyl)imidazol-1-yl]methyl]benzamide

C41H42F6N4O5 — CID 122436722

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxy-3-methylphenyl)imidazol-1-yl]methyl]benzamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxy-3-methylphenyl)imidazol-1-yl]methyl]benzamide (PubChem CID 122436722) has the molecular formula C41H42F6N4O5 and a molecular weight of 784.80 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxy-3-methylphenyl)imidazol-1-yl]methyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxy-3-methylphenyl)imidazol-1-yl]methyl]benzamide
• PubChem CID: 122436722
• Molecular Formula: C41H42F6N4O5
• Molecular Weight: 784.80 g/mol
• Exact Mass: 784.31
• IUPAC Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxy-3-methylphenyl)imidazol-1-yl]methyl]benzamide
• SMILES: COc1ccc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n(Cc3ccc(C(=O)NCCOCCOCCN)cc3)c2-c2ccc(OC)c(C)c2)cc1C
• InChI: InChI=1S/C41H42F6N4O5/c1-25-19-29(9-11-34(25)53-3)36-37(30-10-12-35(54-4)26(2)20-30)51(38(50-36)31-21-32(40(42,43)44)23-33(22-31)41(45,46)47)24-27-5-7-28(8-6-27)39(52)49-14-16-56-18-17-55-15-13-48/h5-12,19-23H,13-18,24,48H2,1-4H3,(H,49,52)
• InChIKey: KGURLJUDBNGRQJ-UHFFFAOYSA-N
• XLogP: 8.33
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.80
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxy-3-methylphenyl)imidazol-1-yl]methyl]benzamide?

The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxy-3-methylphenyl)imidazol-1-yl]methyl]benzamide (CID 122436722) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxy-3-methylphenyl)imidazol-1-yl]methyl]benzamide.

What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxy-3-methylphenyl)imidazol-1-yl]methyl]benzamide?

The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxy-3-methylphenyl)imidazol-1-yl]methyl]benzamide is COc1ccc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n(Cc3ccc(C(=O)NCCOCCOCCN)cc3)c2-c2ccc(OC)c(C)c2)cc1C.

What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxy-3-methylphenyl)imidazol-1-yl]methyl]benzamide?

The InChIKey is KGURLJUDBNGRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42F6N4O5/c1-25-19-29(9-11-34(25)53-3)36-37(30-10-12-35(54-4)26(2)20-30)51(38(50-36)31-21-32(40(42,43)44)23-33(22-31)41(45,46)47)24-27-5-7-28(8-6-27)39(52)49-14-16-56-18-17-55-15-13-48/h5-12,19-23H,13-18,24,48H2,1-4H3,(H,49,52).

What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxy-3-methylphenyl)imidazol-1-yl]methyl]benzamide?

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxy-3-methylphenyl)imidazol-1-yl]methyl]benzamide has a molecular weight of 784.80 g/mol, XLogP of 8.33, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxy-3-methylphenyl)imidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 122436722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).