3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione

C13H14N2O2 — CID 131856720

IUPAC3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)NC(=Cc2ccccc2C)C1=O
InChIInChI=1S/C13H14N2O2/c1-3-15-12(16)11(14-13(15)17)8-10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3,(H,14,17)
InChIKeyJGSAXXBHFOYNKV-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.91
Rot. Bonds2

About 3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione

3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 131856720) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID131856720
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)NC(=Cc2ccccc2C)C1=O
InChIInChI=1S/C13H14N2O2/c1-3-15-12(16)11(14-13(15)17)8-10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3,(H,14,17)
InChIKeyJGSAXXBHFOYNKV-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 45095770
(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126233258
(5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione
CID 156556130
3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 2927735
methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 78414890
(5E)-3-butyl-5-[(2-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19545490
(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 5411335
5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione
CID 156538318
N-(4-methylphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 19256101
(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 126256878
N-(4-chlorophenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632724
5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione
CID 54398318

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione (CID 131856720) is 3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione is CCN1C(=O)NC(=Cc2ccccc2C)C1=O.
What is the InChIKey of 3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is JGSAXXBHFOYNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-15-12(16)11(14-13(15)17)8-10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3,(H,14,17).
What are the key properties of 3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione?
3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 230.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 131856720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).