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

C41H42F6N4O7 — CID 122436575

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]benzamide
SMILESCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)n(Cc3ccc(C(=O)NCCOCCOCCN)cc3)c2-c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C41H42F6N4O7/c1-53-32-13-9-27(21-34(32)55-3)36-37(28-10-14-33(54-2)35(22-28)56-4)51(38(50-36)30-12-11-29(40(42,43)44)23-31(30)41(45,46)47)24-25-5-7-26(8-6-25)39(52)49-16-18-58-20-19-57-17-15-48/h5-14,21-23H,15-20,24,48H2,1-4H3,(H,49,52)
InChIKeyPZJIJKKCWHWTGA-UHFFFAOYSA-N
MW816.80 g/mol
LogP7.73
Rot. Bonds18

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

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]benzamide (PubChem CID 122436575) has the molecular formula C41H42F6N4O7 and a molecular weight of 816.80 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]benzamide
PubChem CID122436575
Molecular FormulaC41H42F6N4O7
Molecular Weight816.80 g/mol
Exact Mass816.30
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]benzamide
SMILESCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)n(Cc3ccc(C(=O)NCCOCCOCCN)cc3)c2-c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C41H42F6N4O7/c1-53-32-13-9-27(21-34(32)55-3)36-37(28-10-14-33(54-2)35(22-28)56-4)51(38(50-36)30-12-11-29(40(42,43)44)23-31(30)41(45,46)47)24-25-5-7-26(8-6-25)39(52)49-16-18-58-20-19-57-17-15-48/h5-14,21-23H,15-20,24,48H2,1-4H3,(H,49,52)
InChIKeyPZJIJKKCWHWTGA-UHFFFAOYSA-N
XLogP7.73
TPSA128.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.80
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]benzamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]benzamide (CID 122436575) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]benzamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]benzamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]benzamide is COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)n(Cc3ccc(C(=O)NCCOCCOCCN)cc3)c2-c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]benzamide?
The InChIKey is PZJIJKKCWHWTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42F6N4O7/c1-53-32-13-9-27(21-34(32)55-3)36-37(28-10-14-33(54-2)35(22-28)56-4)51(38(50-36)30-12-11-29(40(42,43)44)23-31(30)41(45,46)47)24-25-5-7-26(8-6-25)39(52)49-16-18-58-20-19-57-17-15-48/h5-14,21-23H,15-20,24,48H2,1-4H3,(H,49,52).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]benzamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]benzamide has a molecular weight of 816.80 g/mol, XLogP of 7.73, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3,4-dimethoxyphenyl)imidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 122436575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).