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

C16H23N3O6 — CID 136951561

IUPACmethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
SMILESCOCCOCCOc1cnc(C2=NCC(C)(C(=O)OC)N2)c(O)c1
InChIInChI=1S/C16H23N3O6/c1-16(15(21)23-3)10-18-14(19-16)13-12(20)8-11(9-17-13)25-7-6-24-5-4-22-2/h8-9,20H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyWIELEXKAOPTIRX-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.11
Rot. Bonds9

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

methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate (PubChem CID 136951561) has the molecular formula C16H23N3O6 and a molecular weight of 353.38 g/mol. Its IUPAC name is methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
PubChem CID136951561
Molecular FormulaC16H23N3O6
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC Namemethyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
SMILESCOCCOCCOc1cnc(C2=NCC(C)(C(=O)OC)N2)c(O)c1
InChIInChI=1S/C16H23N3O6/c1-16(15(21)23-3)10-18-14(19-16)13-12(20)8-11(9-17-13)25-7-6-24-5-4-22-2/h8-9,20H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyWIELEXKAOPTIRX-UHFFFAOYSA-N
XLogP0.11
TPSA111.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.11
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
The IUPAC name of methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate (CID 136951561) is methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate is COCCOCCOc1cnc(C2=NCC(C)(C(=O)OC)N2)c(O)c1.
What is the InChIKey of methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
The InChIKey is WIELEXKAOPTIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O6/c1-16(15(21)23-3)10-18-14(19-16)13-12(20)8-11(9-17-13)25-7-6-24-5-4-22-2/h8-9,20H,4-7,10H2,1-3H3,(H,18,19).
What are the key properties of methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate?
methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 0.11, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate is sourced from PubChem (CID 136951561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).