1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione

C24H22N2O5 — CID 8606441

IUPAC1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione
SMILESCCOc1ccc(N2C(=O)C(=O)N(Cc3cccc4ccccc34)C2=O)cc1OCC
InChIInChI=1S/C24H22N2O5/c1-3-30-20-13-12-18(14-21(20)31-4-2)26-23(28)22(27)25(24(26)29)15-17-10-7-9-16-8-5-6-11-19(16)17/h5-14H,3-4,15H2,1-2H3
InChIKeyMOZAWHLBACQFMJ-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.13
Rot. Bonds7

About 1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione

1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione (PubChem CID 8606441) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione
PubChem CID8606441
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione
SMILESCCOc1ccc(N2C(=O)C(=O)N(Cc3cccc4ccccc34)C2=O)cc1OCC
InChIInChI=1S/C24H22N2O5/c1-3-30-20-13-12-18(14-21(20)31-4-2)26-23(28)22(27)25(24(26)29)15-17-10-7-9-16-8-5-6-11-19(16)17/h5-14H,3-4,15H2,1-2H3
InChIKeyMOZAWHLBACQFMJ-UHFFFAOYSA-N
XLogP4.13
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione (CID 8606441) is 1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione is CCOc1ccc(N2C(=O)C(=O)N(Cc3cccc4ccccc34)C2=O)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione?
The InChIKey is MOZAWHLBACQFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-3-30-20-13-12-18(14-21(20)31-4-2)26-23(28)22(27)25(24(26)29)15-17-10-7-9-16-8-5-6-11-19(16)17/h5-14H,3-4,15H2,1-2H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione?
1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione has a molecular weight of 418.45 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 8606441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).