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

C18H27N3O7 — CID 144849582

IUPACmethyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate
SMILESCOCCOCCOCCOc1cnc(C2=N[C@@H](C(=O)OC)CN2C)c(O)c1
InChIInChI=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
InChIKeyXJQMQQMMHWYMCE-CQSZACIVSA-N
MW397.43 g/mol
LogP0.08
Rot. Bonds12

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 Namemethyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate
PubChem CID144849582
Molecular FormulaC18H27N3O7
Molecular Weight397.43 g/mol
Exact Mass397.18
IUPAC Namemethyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate
SMILESCOCCOCCOCCOc1cnc(C2=N[C@@H](C(=O)OC)CN2C)c(O)c1
InChIInChI=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
InChIKeyXJQMQQMMHWYMCE-CQSZACIVSA-N
XLogP0.08
TPSA111.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).