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

C16H24N3O6- — CID 158589909

IUPAC2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane
SMILESC.COCCOCCOc1cnc(C2=NCC(C)(C(=O)[O-])N2)c(O)c1
InChIInChI=1S/C15H21N3O6.CH4/c1-15(14(20)21)9-17-13(18-15)12-11(19)7-10(8-16-12)24-6-5-23-4-3-22-2;/h7-8,19H,3-6,9H2,1-2H3,(H,17,18)(H,20,21);1H4/p-1
InChIKeyHUHVYEPWZYGJTR-UHFFFAOYSA-M
MW354.38 g/mol
LogP-0.68
Rot. Bonds9

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

2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane (PubChem CID 158589909) has the molecular formula C16H24N3O6- and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane.

Molecular Properties

Compound Name2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane
PubChem CID158589909
Molecular FormulaC16H24N3O6-
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC Name2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane
SMILESC.COCCOCCOc1cnc(C2=NCC(C)(C(=O)[O-])N2)c(O)c1
InChIInChI=1S/C15H21N3O6.CH4/c1-15(14(20)21)9-17-13(18-15)12-11(19)7-10(8-16-12)24-6-5-23-4-3-22-2;/h7-8,19H,3-6,9H2,1-2H3,(H,17,18)(H,20,21);1H4/p-1
InChIKeyHUHVYEPWZYGJTR-UHFFFAOYSA-M
XLogP-0.68
TPSA125.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 5-0.68
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

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
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
1-[2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazol-4-yl]ethanone
CID 137094943
methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-oxazole-4-carboxylate
CID 136951557
ethyl 2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
CID 136951593
ethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4-methyl-5H-1,3-thiazole-4-carboxylate
CID 137128608
2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid
CID 135968172
ethyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate
CID 136951607
propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate
CID 137094998
methyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate
CID 144849582

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane?
The IUPAC name of 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane (CID 158589909) is 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane.
What is the SMILES notation for 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane?
The canonical SMILES for 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane is C.COCCOCCOc1cnc(C2=NCC(C)(C(=O)[O-])N2)c(O)c1.
What is the InChIKey of 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane?
The InChIKey is HUHVYEPWZYGJTR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21N3O6.CH4/c1-15(14(20)21)9-17-13(18-15)12-11(19)7-10(8-16-12)24-6-5-23-4-3-22-2;/h7-8,19H,3-6,9H2,1-2H3,(H,17,18)(H,20,21);1H4/p-1.
What are the key properties of 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane?
2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane has a molecular weight of 354.38 g/mol, XLogP of -0.68, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate;methane is sourced from PubChem (CID 158589909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).