2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid

C18H16N2O3 — CID 59324463

IUPAC2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid
SMILESCCOc1nc(C(=O)O)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-2-23-18-19-15(17(21)22)16(13-9-5-3-6-10-13)20(18)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,21,22)
InChIKeyDRHDBIYTLRAFRG-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.64
Rot. Bonds5

About 2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid

2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid (PubChem CID 59324463) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid
PubChem CID59324463
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid
SMILESCCOc1nc(C(=O)O)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-2-23-18-19-15(17(21)22)16(13-9-5-3-6-10-13)20(18)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,21,22)
InChIKeyDRHDBIYTLRAFRG-UHFFFAOYSA-N
XLogP3.64
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid?
The IUPAC name of 2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid (CID 59324463) is 2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid?
The canonical SMILES for 2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid is CCOc1nc(C(=O)O)c(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid?
The InChIKey is DRHDBIYTLRAFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-23-18-19-15(17(21)22)16(13-9-5-3-6-10-13)20(18)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,21,22).
What are the key properties of 2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid?
2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,5-diphenylimidazole-4-carboxylic acid is sourced from PubChem (CID 59324463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).