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

C18H27N3O7 — CID 144849582

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

methyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate (PubChem CID 144849582) has the molecular formula C18H27N3O7 and a molecular weight of 397.43 g/mol. Its IUPAC name is methyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate
• PubChem CID: 144849582
• Molecular Formula: C18H27N3O7
• Molecular Weight: 397.43 g/mol
• Exact Mass: 397.18
• IUPAC Name: methyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate
• SMILES: COCCOCCOCCOc1cnc(C2=N[C@@H](C(=O)OC)CN2C)c(O)c1
• InChI: InChI=1S/C18H27N3O7/c1-21-12-14(18(23)25-3)20-17(21)16-15(22)10-13(11-19-16)28-9-8-27-7-6-26-5-4-24-2/h10-11,14,22H,4-9,12H2,1-3H3/t14-/m1/s1
• InChIKey: XJQMQQMMHWYMCE-CQSZACIVSA-N
• XLogP: 0.08
• TPSA: 111.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.43
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate?

The IUPAC name of methyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate (CID 144849582) is methyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate.

What is the SMILES notation for methyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate?

The canonical SMILES for methyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate is COCCOCCOCCOc1cnc(C2=N[C@@H](C(=O)OC)CN2C)c(O)c1.

What is the InChIKey of methyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate?

The InChIKey is XJQMQQMMHWYMCE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O7/c1-21-12-14(18(23)25-3)20-17(21)16-15(22)10-13(11-19-16)28-9-8-27-7-6-26-5-4-24-2/h10-11,14,22H,4-9,12H2,1-3H3/t14-/m1/s1.

What are the key properties of methyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate?

methyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 0.08, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 144849582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).