1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione

C13H14N2O3 — CID 7824110

IUPAC1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C13H14N2O3/c1-3-14-11(16)12(17)15(13(14)18)8-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3
InChIKeyAAUWBPMDKQXGIO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.31
Rot. Bonds3

About 1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione

1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione (PubChem CID 7824110) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione
PubChem CID7824110
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C13H14N2O3/c1-3-14-11(16)12(17)15(13(14)18)8-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3
InChIKeyAAUWBPMDKQXGIO-UHFFFAOYSA-N
XLogP1.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.31
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-ethyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione
CID 9207850
(3aR,7aR)-2-[(2-methylphenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7917657
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione
CID 47068528
1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 31131755
1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 7757108
5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione
CID 106893652
2-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 69277932
2,5-diethyl-1,4-bis(2-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 67828418
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
4-[(2-methylphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 6624086
carbanide;ethane;1-ethyl-2-methylbenzene;yttrium
CID 165046421
9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine
CID 123972048

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione (CID 7824110) is 1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(Cc2ccccc2C)C1=O.
What is the InChIKey of 1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is AAUWBPMDKQXGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-14-11(16)12(17)15(13(14)18)8-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione?
1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 246.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7824110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).