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

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

ethyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate (PubChem CID 136951607) has the molecular formula C20H31N3O7 and a molecular weight of 425.48 g/mol. Its IUPAC name is ethyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate.

Molecular Properties

Compound Name	ethyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate
PubChem CID	136951607
Molecular Formula	C20H31N3O7
Molecular Weight	425.48 g/mol
Exact Mass	425.22
IUPAC Name	ethyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate
SMILES	CCOC(=O)[C@@]1(C)CN(C)C(c2ncc(OCCOCCOCCOC)cc2O)=N1
InChI	InChI=1S/C20H31N3O7/c1-5-29-19(25)20(2)14-23(3)18(22-20)17-16(24)12-15(13-21-17)30-11-10-28-9-8-27-7-6-26-4/h12-13,24H,5-11,14H2,1-4H3/t20-/m1/s1
InChIKey	GHMTVIKBHZBFJM-HXUWFJFHSA-N
XLogP	0.86
TPSA	111.94 Å²
H-Bond Donors	1
H-Bond Acceptors	10
Rotatable Bonds	13
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.48
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of ethyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate (CID 136951607) is ethyl (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 ethyl (5R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-3,5-dimethyl-4H-imidazole-5-carboxylate?

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

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

The InChIKey is GHMTVIKBHZBFJM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H31N3O7/c1-5-29-19(25)20(2)14-23(3)18(22-20)17-16(24)12-15(13-21-17)30-11-10-28-9-8-27-7-6-26-4/h12-13,24H,5-11,14H2,1-4H3/t20-/m1/s1.

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

ethyl (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 425.48 g/mol, XLogP of 0.86, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (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 136951607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).