ethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate

C20H20N2O3 — CID 59324547

IUPACethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(OCC)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-3-24-19(23)17-18(15-11-7-5-8-12-15)22(20(21-17)25-4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyIOYXECSFQNIEJS-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.11
Rot. Bonds6

About ethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate

ethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate (PubChem CID 59324547) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate
PubChem CID59324547
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Nameethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(OCC)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-3-24-19(23)17-18(15-11-7-5-8-12-15)22(20(21-17)25-4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyIOYXECSFQNIEJS-UHFFFAOYSA-N
XLogP4.11
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-ethoxy-1,5-diphenylimidazole-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 ethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate?
The IUPAC name of ethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate (CID 59324547) is ethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate is CCOC(=O)c1nc(OCC)n(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate?
The InChIKey is IOYXECSFQNIEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-24-19(23)17-18(15-11-7-5-8-12-15)22(20(21-17)25-4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate?
ethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-1,5-diphenylimidazole-4-carboxylate is sourced from PubChem (CID 59324547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).