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

C15H20N3O5- — CID 159919284

IUPAC2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
SMILESCCCOCCOc1ccnc(C2=NCC(C)(C(=O)[O-])N2)c1O
InChIInChI=1S/C15H21N3O5/c1-3-6-22-7-8-23-10-4-5-16-11(12(10)19)13-17-9-15(2,18-13)14(20)21/h4-5,19H,3,6-9H2,1-2H3,(H,17,18)(H,20,21)/p-1
InChIKeyNYEODSVDPAZSHS-UHFFFAOYSA-M
MW322.34 g/mol
LogP-0.55
Rot. Bonds8

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

2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate (PubChem CID 159919284) has the molecular formula C15H20N3O5- and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate.

Molecular Properties

Compound Name2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
PubChem CID159919284
Molecular FormulaC15H20N3O5-
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC Name2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
SMILESCCCOCCOc1ccnc(C2=NCC(C)(C(=O)[O-])N2)c1O
InChIInChI=1S/C15H21N3O5/c1-3-6-22-7-8-23-10-4-5-16-11(12(10)19)13-17-9-15(2,18-13)14(20)21/h4-5,19H,3,6-9H2,1-2H3,(H,17,18)(H,20,21)/p-1
InChIKeyNYEODSVDPAZSHS-UHFFFAOYSA-M
XLogP-0.55
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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
ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 136951593
(4S)-2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;methane
CID 158754110
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
ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 136951562
methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 136951561
propyl (4R)-2-[3-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
CID 137095000
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
4-amino-3-(2-propoxyethoxy)benzenesulfonamide
CID 82898491

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
The IUPAC name of 2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate (CID 159919284) is 2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate.
What is the SMILES notation for 2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
The canonical SMILES for 2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate is CCCOCCOc1ccnc(C2=NCC(C)(C(=O)[O-])N2)c1O.
What is the InChIKey of 2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
The InChIKey is NYEODSVDPAZSHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21N3O5/c1-3-6-22-7-8-23-10-4-5-16-11(12(10)19)13-17-9-15(2,18-13)14(20)21/h4-5,19H,3,6-9H2,1-2H3,(H,17,18)(H,20,21)/p-1.
What are the key properties of 2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate has a molecular weight of 322.34 g/mol, XLogP of -0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-4-(2-propoxyethoxy)-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate is sourced from PubChem (CID 159919284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).