ethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate

C24H27N3O4 — CID 59324918

IUPACethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(OCC)n(-c2cccc(N3CCOCC3)c2)c1-c1ccccc1
InChIInChI=1S/C24H27N3O4/c1-3-30-23(28)21-22(18-9-6-5-7-10-18)27(24(25-21)31-4-2)20-12-8-11-19(17-20)26-13-15-29-16-14-26/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyHCIGISAISRRUHW-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.95
Rot. Bonds7

About ethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate

ethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate (PubChem CID 59324918) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is ethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate
PubChem CID59324918
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Nameethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(OCC)n(-c2cccc(N3CCOCC3)c2)c1-c1ccccc1
InChIInChI=1S/C24H27N3O4/c1-3-30-23(28)21-22(18-9-6-5-7-10-18)27(24(25-21)31-4-2)20-12-8-11-19(17-20)26-13-15-29-16-14-26/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyHCIGISAISRRUHW-UHFFFAOYSA-N
XLogP3.95
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate?
The IUPAC name of ethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate (CID 59324918) is ethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate is CCOC(=O)c1nc(OCC)n(-c2cccc(N3CCOCC3)c2)c1-c1ccccc1.
What is the InChIKey of ethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate?
The InChIKey is HCIGISAISRRUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-3-30-23(28)21-22(18-9-6-5-7-10-18)27(24(25-21)31-4-2)20-12-8-11-19(17-20)26-13-15-29-16-14-26/h5-12,17H,3-4,13-16H2,1-2H3.
What are the key properties of ethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate?
ethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate has a molecular weight of 421.50 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carboxylate is sourced from PubChem (CID 59324918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).