2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid

C18H26N2O7 — CID 135968172

About 2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid

2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid (PubChem CID 135968172) has the molecular formula C18H26N2O7 and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid
• PubChem CID: 135968172
• Molecular Formula: C18H26N2O7
• Molecular Weight: 382.41 g/mol
• Exact Mass: 382.17
• IUPAC Name: 2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid
• SMILES: COCCOCCOCCOc1cccc(C2=NCC(C)(C(=O)O)N2)c1O
• InChI: InChI=1S/C18H26N2O7/c1-18(17(22)23)12-19-16(20-18)13-4-3-5-14(15(13)21)27-11-10-26-9-8-25-7-6-24-2/h3-5,21H,6-12H2,1-2H3,(H,19,20)(H,22,23)
• InChIKey: TUZLOZMTLOILOW-UHFFFAOYSA-N
• XLogP: 0.64
• TPSA: 118.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.41
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid?

The IUPAC name of 2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid (CID 135968172) is 2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid.

What is the SMILES notation for 2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid?

The canonical SMILES for 2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid is COCCOCCOCCOc1cccc(C2=NCC(C)(C(=O)O)N2)c1O.

What is the InChIKey of 2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid?

The InChIKey is TUZLOZMTLOILOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O7/c1-18(17(22)23)12-19-16(20-18)13-4-3-5-14(15(13)21)27-11-10-26-9-8-25-7-6-24-2/h3-5,21H,6-12H2,1-2H3,(H,19,20)(H,22,23).

What are the key properties of 2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid?

2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid has a molecular weight of 382.41 g/mol, XLogP of 0.64, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid is sourced from PubChem (CID 135968172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).