1-phenyl-3-propylimidazolidine-2,4,5-trione

C12H12N2O3 — CID 13310932

IUPAC1-phenyl-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H12N2O3/c1-2-8-13-10(15)11(16)14(12(13)17)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyNPGHUYDQYJTQAQ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.39
Rot. Bonds3

About 1-phenyl-3-propylimidazolidine-2,4,5-trione

1-phenyl-3-propylimidazolidine-2,4,5-trione (PubChem CID 13310932) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-phenyl-3-propylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-phenyl-3-propylimidazolidine-2,4,5-trione
PubChem CID13310932
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-phenyl-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H12N2O3/c1-2-8-13-10(15)11(16)14(12(13)17)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyNPGHUYDQYJTQAQ-UHFFFAOYSA-N
XLogP1.39
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.39
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

1-phenyl-3-prop-2-ynylimidazolidine-2,4,5-trione
CID 3028843
1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
CID 8626573
methyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate
CID 131843957
hydron;2-propylisoindole-1,3-dione
CID 174827386
1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone
CID 22323521
3-chloro-4-phenyl-1-propylpyrrole-2,5-dione
CID 110583431
methyl-[(1-phenylpyrazol-4-yl)methyl]-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]azanium
CID 9322412
5-[(4-bromothiophen-2-yl)methylidene]-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1209893
(5Z)-5-(furan-2-ylmethylidene)-1-(2-methoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 126021521
5-[(3,4-dimethoxyphenyl)methylidene]-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 990106
(5Z)-5-[[4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-1-(2-methoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 126021819
methanamine;2-phenylisoindole-1,3-dione;propane
CID 171823860

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-propylimidazolidine-2,4,5-trione?
The IUPAC name of 1-phenyl-3-propylimidazolidine-2,4,5-trione (CID 13310932) is 1-phenyl-3-propylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-phenyl-3-propylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-phenyl-3-propylimidazolidine-2,4,5-trione is CCCN1C(=O)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 1-phenyl-3-propylimidazolidine-2,4,5-trione?
The InChIKey is NPGHUYDQYJTQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-8-13-10(15)11(16)14(12(13)17)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 1-phenyl-3-propylimidazolidine-2,4,5-trione?
1-phenyl-3-propylimidazolidine-2,4,5-trione has a molecular weight of 232.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-propylimidazolidine-2,4,5-trione is sourced from PubChem (CID 13310932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).