ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate

C17H25N3O6 — CID 136951593

IUPACethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
SMILESCCOC(=O)C1(C)CN=C(c2nccc(OCCOCCOC)c2O)N1
InChIInChI=1S/C17H25N3O6/c1-4-25-16(22)17(2)11-19-15(20-17)13-14(21)12(5-6-18-13)26-10-9-24-8-7-23-3/h5-6,21H,4,7-11H2,1-3H3,(H,19,20)
InChIKeyIONMAMPYEZCDJF-UHFFFAOYSA-N
MW367.40 g/mol
LogP0.50
Rot. Bonds10

About ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate

ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate (PubChem CID 136951593) has the molecular formula C17H25N3O6 and a molecular weight of 367.40 g/mol. Its IUPAC name is ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
PubChem CID136951593
Molecular FormulaC17H25N3O6
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Nameethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
SMILESCCOC(=O)C1(C)CN=C(c2nccc(OCCOCCOC)c2O)N1
InChIInChI=1S/C17H25N3O6/c1-4-25-16(22)17(2)11-19-15(20-17)13-14(21)12(5-6-18-13)26-10-9-24-8-7-23-3/h5-6,21H,4,7-11H2,1-3H3,(H,19,20)
InChIKeyIONMAMPYEZCDJF-UHFFFAOYSA-N
XLogP0.50
TPSA111.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 147413945
2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 159919284
ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 136951562
2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid
CID 135968172
methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 136951561
2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane
CID 158589909
methyl (4S)-2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 144849599
(4S)-2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;methane
CID 158754110
ethyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate
CID 136951607
propyl (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
CID 137095000
ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate
CID 137128608
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
The IUPAC name of ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate (CID 136951593) is ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
The canonical SMILES for ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate is CCOC(=O)C1(C)CN=C(c2nccc(OCCOCCOC)c2O)N1.
What is the InChIKey of ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
The InChIKey is IONMAMPYEZCDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6/c1-4-25-16(22)17(2)11-19-15(20-17)13-14(21)12(5-6-18-13)26-10-9-24-8-7-23-3/h5-6,21H,4,7-11H2,1-3H3,(H,19,20).
What are the key properties of ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate has a molecular weight of 367.40 g/mol, XLogP of 0.50, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate is sourced from PubChem (CID 136951593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).