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

C18H36N2O7 — CID 174749863

IUPAC1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid
SMILESCCN1C=CN(CCOC)C1.COCCOCCOCCOCCC(=O)O
InChIInChI=1S/C10H20O6.C8H16N2O/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-3-9-4-5-10(8-9)6-7-11-2/h2-9H2,1H3,(H,11,12);4-5H,3,6-8H2,1-2H3
InChIKeyHCFNJMNXKZZIKH-UHFFFAOYSA-N
MW392.49 g/mol
LogP0.86
Rot. Bonds16

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

1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid (PubChem CID 174749863) has the molecular formula C18H36N2O7 and a molecular weight of 392.49 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid
PubChem CID174749863
Molecular FormulaC18H36N2O7
Molecular Weight392.49 g/mol
Exact Mass392.25
IUPAC Name1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid
SMILESCCN1C=CN(CCOC)C1.COCCOCCOCCOCCC(=O)O
InChIInChI=1S/C10H20O6.C8H16N2O/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-3-9-4-5-10(8-9)6-7-11-2/h2-9H2,1H3,(H,11,12);4-5H,3,6-8H2,1-2H3
InChIKeyHCFNJMNXKZZIKH-UHFFFAOYSA-N
XLogP0.86
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 50.86
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-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 174750047
1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid
CID 174749773
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
1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid
CID 174749758
2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole
CID 174750022
3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine
CID 175288868
2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid
CID 160861388
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
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
1-ethenyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-imidazole
CID 175452131

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid?
The IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid (CID 174749863) is 1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid is CCN1C=CN(CCOC)C1.COCCOCCOCCOCCC(=O)O.
What is the InChIKey of 1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid?
The InChIKey is HCFNJMNXKZZIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O6.C8H16N2O/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-3-9-4-5-10(8-9)6-7-11-2/h2-9H2,1H3,(H,11,12);4-5H,3,6-8H2,1-2H3.
What are the key properties of 1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid?
1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid has a molecular weight of 392.49 g/mol, XLogP of 0.86, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 174749863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).