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

C15H20N3O6- — CID 147413945

IUPAC2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
SMILESCOCCOCCOc1ccnc(C2=NCC(C)(C(=O)[O-])N2)c1O
InChIInChI=1S/C15H21N3O6/c1-15(14(20)21)9-17-13(18-15)11-12(19)10(3-4-16-11)24-8-7-23-6-5-22-2/h3-4,19H,5-9H2,1-2H3,(H,17,18)(H,20,21)/p-1
InChIKeyDRDQERTUODDGIO-UHFFFAOYSA-M
MW338.34 g/mol
LogP-1.31
Rot. Bonds9

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

2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate (PubChem CID 147413945) has the molecular formula C15H20N3O6- and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate.

Molecular Properties

Compound Name2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
PubChem CID147413945
Molecular FormulaC15H20N3O6-
Molecular Weight338.34 g/mol
Exact Mass338.14
IUPAC Name2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
SMILESCOCCOCCOc1ccnc(C2=NCC(C)(C(=O)[O-])N2)c1O
InChIInChI=1S/C15H21N3O6/c1-15(14(20)21)9-17-13(18-15)11-12(19)10(3-4-16-11)24-8-7-23-6-5-22-2/h3-4,19H,5-9H2,1-2H3,(H,17,18)(H,20,21)/p-1
InChIKeyDRDQERTUODDGIO-UHFFFAOYSA-M
XLogP-1.31
TPSA125.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 5-1.31
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-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 159919284
ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 136951593
2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane
CID 158589909
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
ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 136951562
(4S)-2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;methane
CID 158754110
methyl (4S)-2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 144849599
(4R)-2-[3-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
CID 140744252
(4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate;methane
CID 157274118
disodium bis((4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate)
CID 140670128
methyl 2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
CID 137153787

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
The IUPAC name of 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate (CID 147413945) is 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate.
What is the SMILES notation for 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
The canonical SMILES for 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate is COCCOCCOc1ccnc(C2=NCC(C)(C(=O)[O-])N2)c1O.
What is the InChIKey of 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
The InChIKey is DRDQERTUODDGIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21N3O6/c1-15(14(20)21)9-17-13(18-15)11-12(19)10(3-4-16-11)24-8-7-23-6-5-22-2/h3-4,19H,5-9H2,1-2H3,(H,17,18)(H,20,21)/p-1.
What are the key properties of 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate has a molecular weight of 338.34 g/mol, XLogP of -1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate is sourced from PubChem (CID 147413945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).