5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione

C23H21N3O3 — CID 58158873

IUPAC5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2cccnc2)C(=O)N1Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C23H21N3O3/c1-23(2)21(27)26(18-10-8-14-24-15-18)22(28)25(23)16-17-9-6-7-13-20(17)29-19-11-4-3-5-12-19/h3-15H,16H2,1-2H3
InChIKeyCSEBZFAOUMSNRJ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.62
Rot. Bonds5

About 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione

5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 58158873) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID58158873
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2cccnc2)C(=O)N1Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C23H21N3O3/c1-23(2)21(27)26(18-10-8-14-24-15-18)22(28)25(23)16-17-9-6-7-13-20(17)29-19-11-4-3-5-12-19/h3-15H,16H2,1-2H3
InChIKeyCSEBZFAOUMSNRJ-UHFFFAOYSA-N
XLogP4.62
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione (CID 58158873) is 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione is CC1(C)C(=O)N(c2cccnc2)C(=O)N1Cc1ccccc1Oc1ccccc1.
What is the InChIKey of 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is CSEBZFAOUMSNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-23(2)21(27)26(18-10-8-14-24-15-18)22(28)25(23)16-17-9-6-7-13-20(17)29-19-11-4-3-5-12-19/h3-15H,16H2,1-2H3.
What are the key properties of 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione?
5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 387.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[(2-phenoxyphenyl)methyl]-3-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 58158873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).