3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione

C24H23N3O3 — CID 71476453

IUPAC3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCOc1ccc(NCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H23N3O3/c1-30-21-14-12-20(13-15-21)25-16-17-27-22(28)24(26-23(27)29,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,25H,16-17H2,1H3,(H,26,29)
InChIKeyBLPBUMUTBMQKDP-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.60
Rot. Bonds7

About 3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione

3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 71476453) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID71476453
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCOc1ccc(NCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H23N3O3/c1-30-21-14-12-20(13-15-21)25-16-17-27-22(28)24(26-23(27)29,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,25H,16-17H2,1H3,(H,26,29)
InChIKeyBLPBUMUTBMQKDP-UHFFFAOYSA-N
XLogP3.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione (CID 71476453) is 3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione is COc1ccc(NCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is BLPBUMUTBMQKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-30-21-14-12-20(13-15-21)25-16-17-27-22(28)24(26-23(27)29,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,25H,16-17H2,1H3,(H,26,29).
What are the key properties of 3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 401.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyanilino)ethyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 71476453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).