1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione

C19H18N2O3 — CID 8626573

IUPAC1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C19H18N2O3/c1-2-12-20-17(22)18(23)21(19(20)24)13-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3
InChIKeyYNMLRTBGJVXSHT-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.05
Rot. Bonds5

About 1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione

1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione (PubChem CID 8626573) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
PubChem CID8626573
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C19H18N2O3/c1-2-12-20-17(22)18(23)21(19(20)24)13-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3
InChIKeyYNMLRTBGJVXSHT-UHFFFAOYSA-N
XLogP3.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
1-phenyl-3-propylimidazolidine-2,4,5-trione
CID 13310932
3-chloro-4-phenyl-1-propylpyrrole-2,5-dione
CID 110583431
hydron;2-propylisoindole-1,3-dione
CID 174827386
3-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]benzonitrile
CID 8626667
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
CID 8627201
4-[(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)methyl]benzonitrile
CID 2398166
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide
CID 7819743
2-[(4-propylphenyl)methyl]isoindole-1,3-dione
CID 118513791
methyl-[(1-phenylpyrazol-4-yl)methyl]-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]azanium
CID 9322412
1-benzyl-3-[2-(4-butylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7820036
1-benzyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 31394302

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione (CID 8626573) is 1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione is CCCN1C(=O)C(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of 1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione?
The InChIKey is YNMLRTBGJVXSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-12-20-17(22)18(23)21(19(20)24)13-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3.
What are the key properties of 1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione?
1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione has a molecular weight of 322.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione is sourced from PubChem (CID 8626573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).