N-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole

C41H51N3O7 — CID 144561241

IUPACN-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole
SMILESCOCCN(CCOC)CCOCCOCCOc1c(OC)cccc1OC.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C21H16N2.C20H35NO7/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-22-11-8-21(9-12-23-2)10-13-26-14-15-27-16-17-28-20-18(24-3)6-5-7-19(20)25-4/h1-15H,(H,22,23);5-7H,8-17H2,1-4H3
InChIKeyONDFVSFYGUFKOI-UHFFFAOYSA-N
MW697.87 g/mol
LogP7.12
Rot. Bonds21

About N-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole

N-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole (PubChem CID 144561241) has the molecular formula C41H51N3O7 and a molecular weight of 697.87 g/mol. Its IUPAC name is N-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole.

Molecular Properties

Compound NameN-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole
PubChem CID144561241
Molecular FormulaC41H51N3O7
Molecular Weight697.87 g/mol
Exact Mass697.37
IUPAC NameN-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole
SMILESCOCCN(CCOC)CCOCCOCCOc1c(OC)cccc1OC.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C21H16N2.C20H35NO7/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-22-11-8-21(9-12-23-2)10-13-26-14-15-27-16-17-28-20-18(24-3)6-5-7-19(20)25-4/h1-15H,(H,22,23);5-7H,8-17H2,1-4H3
InChIKeyONDFVSFYGUFKOI-UHFFFAOYSA-N
XLogP7.12
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.87
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole?
The IUPAC name of N-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole (CID 144561241) is N-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole.
What is the SMILES notation for N-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole?
The canonical SMILES for N-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole is COCCN(CCOC)CCOCCOCCOc1c(OC)cccc1OC.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of N-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole?
The InChIKey is ONDFVSFYGUFKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2.C20H35NO7/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-22-11-8-21(9-12-23-2)10-13-26-14-15-27-16-17-28-20-18(24-3)6-5-7-19(20)25-4/h1-15H,(H,22,23);5-7H,8-17H2,1-4H3.
What are the key properties of N-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole?
N-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole has a molecular weight of 697.87 g/mol, XLogP of 7.12, 21 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,4,5-triphenyl-1H-imidazole is sourced from PubChem (CID 144561241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).