ethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate

C24H23N3O3 — CID 102027595

IUPACethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate
SMILESCCOC(=O)C1N(c2ccccc2)C(=O)C(Nc2ccccc2)N1c1ccccc1
InChIInChI=1S/C24H23N3O3/c1-2-30-24(29)22-26(19-14-8-4-9-15-19)21(25-18-12-6-3-7-13-18)23(28)27(22)20-16-10-5-11-17-20/h3-17,21-22,25H,2H2,1H3
InChIKeyRYVYDPKZERLNCG-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.87
Rot. Bonds6

About ethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate

ethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate (PubChem CID 102027595) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is ethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate
PubChem CID102027595
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Nameethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate
SMILESCCOC(=O)C1N(c2ccccc2)C(=O)C(Nc2ccccc2)N1c1ccccc1
InChIInChI=1S/C24H23N3O3/c1-2-30-24(29)22-26(19-14-8-4-9-15-19)21(25-18-12-6-3-7-13-18)23(28)27(22)20-16-10-5-11-17-20/h3-17,21-22,25H,2H2,1H3
InChIKeyRYVYDPKZERLNCG-UHFFFAOYSA-N
XLogP3.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate?
The IUPAC name of ethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate (CID 102027595) is ethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate.
What is the SMILES notation for ethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate?
The canonical SMILES for ethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate is CCOC(=O)C1N(c2ccccc2)C(=O)C(Nc2ccccc2)N1c1ccccc1.
What is the InChIKey of ethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate?
The InChIKey is RYVYDPKZERLNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-2-30-24(29)22-26(19-14-8-4-9-15-19)21(25-18-12-6-3-7-13-18)23(28)27(22)20-16-10-5-11-17-20/h3-17,21-22,25H,2H2,1H3.
What are the key properties of ethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate?
ethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate has a molecular weight of 401.47 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate is sourced from PubChem (CID 102027595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).