1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid

C19H38N2O7 — CID 174750047

IUPAC1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid
SMILESCCOCCN1C=CN(CC)C1.COCCOCCOCCOCCC(=O)O
InChIInChI=1S/C10H20O6.C9H18N2O/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-3-10-5-6-11(9-10)7-8-12-4-2/h2-9H2,1H3,(H,11,12);5-6H,3-4,7-9H2,1-2H3
InChIKeySCNLEVBAPGWLLO-UHFFFAOYSA-N
MW406.52 g/mol
LogP1.25
Rot. Bonds17

About 1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid

1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid (PubChem CID 174750047) has the molecular formula C19H38N2O7 and a molecular weight of 406.52 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid
PubChem CID174750047
Molecular FormulaC19H38N2O7
Molecular Weight406.52 g/mol
Exact Mass406.27
IUPAC Name1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid
SMILESCCOCCN1C=CN(CC)C1.COCCOCCOCCOCCC(=O)O
InChIInChI=1S/C10H20O6.C9H18N2O/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-3-10-5-6-11(9-10)7-8-12-4-2/h2-9H2,1H3,(H,11,12);5-6H,3-4,7-9H2,1-2H3
InChIKeySCNLEVBAPGWLLO-UHFFFAOYSA-N
XLogP1.25
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 174749863
1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid
CID 174749773
1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid
CID 174749758
benzene;3-(2-ethoxyethoxy)propanoic acid
CID 174652454
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
[1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
CID 118645477
3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine
CID 175288868
2-(3-ethyl-2H-imidazol-1-yl)acetic acid
CID 89172390
1-ethenyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-imidazole
CID 175452131

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid?
The IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid (CID 174750047) is 1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid is CCOCCN1C=CN(CC)C1.COCCOCCOCCOCCC(=O)O.
What is the InChIKey of 1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid?
The InChIKey is SCNLEVBAPGWLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O6.C9H18N2O/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-3-10-5-6-11(9-10)7-8-12-4-2/h2-9H2,1H3,(H,11,12);5-6H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid?
1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid has a molecular weight of 406.52 g/mol, XLogP of 1.25, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 174750047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).