propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate

C21H33N3O7 — CID 137094998

About propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate

propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate (PubChem CID 137094998) has the molecular formula C21H33N3O7 and a molecular weight of 439.51 g/mol. Its IUPAC name is propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate.

Molecular Properties

• Compound Name: propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate
• PubChem CID: 137094998
• Molecular Formula: C21H33N3O7
• Molecular Weight: 439.51 g/mol
• Exact Mass: 439.23
• IUPAC Name: propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate
• SMILES: CCCOC(=O)[C@@]1(C)CN(C)C(c2ncc(OCCOCCOCCOC)cc2O)=N1
• InChI: InChI=1S/C21H33N3O7/c1-5-6-31-20(26)21(2)15-24(3)19(23-21)18-17(25)13-16(14-22-18)30-12-11-29-10-9-28-8-7-27-4/h13-14,25H,5-12,15H2,1-4H3/t21-/m1/s1
• InChIKey: BIMQXHSZXRBGRF-OAQYLSRUSA-N
• XLogP: 1.25
• TPSA: 111.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.51
LogP ≤ 5	1.25
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 propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate?

The IUPAC name of propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate (CID 137094998) is propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate.

What is the SMILES notation for propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate?

The canonical SMILES for propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate is CCCOC(=O)[C@@]1(C)CN(C)C(c2ncc(OCCOCCOCCOC)cc2O)=N1.

What is the InChIKey of propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate?

The InChIKey is BIMQXHSZXRBGRF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H33N3O7/c1-5-6-31-20(26)21(2)15-24(3)19(23-21)18-17(25)13-16(14-22-18)30-12-11-29-10-9-28-8-7-27-4/h13-14,25H,5-12,15H2,1-4H3/t21-/m1/s1.

What are the key properties of propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate?

propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate has a molecular weight of 439.51 g/mol, XLogP of 1.25, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for propyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate is sourced from PubChem (CID 137094998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).