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

C16H23N3O6 — CID 136951561

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 Name: methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
• PubChem CID: 136951561
• Molecular Formula: C16H23N3O6
• Molecular Weight: 353.38 g/mol
• Exact Mass: 353.16
• IUPAC Name: methyl 2-[3-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-5-methyl-1,4-dihydroimidazole-5-carboxylate
• SMILES: COCCOCCOc1cnc(C2=NCC(C)(C(=O)OC)N2)c(O)c1
• InChI: 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)
• InChIKey: WIELEXKAOPTIRX-UHFFFAOYSA-N
• XLogP: 0.11
• TPSA: 111.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.38
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

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).