(5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione

C13H14N2O2 — CID 697473

IUPAC(5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCC(C)c1ccc(/C=C2\NC(=O)NC2=O)cc1
InChIInChI=1S/C13H14N2O2/c1-8(2)10-5-3-9(4-6-10)7-11-12(16)15-13(17)14-11/h3-8H,1-2H3,(H2,14,15,16,17)/b11-7-
InChIKeyBURKMABBGWIRER-XFFZJAGNSA-N
MW230.27 g/mol
LogP1.99
Rot. Bonds2

About (5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 697473) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID697473
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCC(C)c1ccc(/C=C2\NC(=O)NC2=O)cc1
InChIInChI=1S/C13H14N2O2/c1-8(2)10-5-3-9(4-6-10)7-11-12(16)15-13(17)14-11/h3-8H,1-2H3,(H2,14,15,16,17)/b11-7-
InChIKeyBURKMABBGWIRER-XFFZJAGNSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
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

(Z)-5-((E)-3-phenylallylidene)-2-thioxoimidazolidin-4-one
CID 1712589
5-(Phenylmethylene)-2-thioxo-4-imidazolidinone
CID 687302
(5Z)-5-(Phenylmethylene)-2,4-imidazolidinedione
CID 5706042
5-Benzylidenehydantoin
CID 97857
5-Benzylidene-2-thiohydantoin
CID 1396823
5-[1-(4-Fluoro-phenyl)-meth-(Z)-ylidene]-imidazolidine-2,4-dione
CID 1551144
5-(4-Methylbenzylidene)-2-thioxo-4-imidazolidinone
CID 5469194
(Z)-5-((E)-2-methyl-3-phenylallylidene)-2-thioxoimidazolidin-4-one
CID 6383873
(5Z)-1-acetyl-5-(4-ethylbenzylidene)imidazolidine-2,4-dione
CID 702306
5-(4-Methylbenzylidene)imidazolidine-2,4-dione
CID 697030
(Z)-5-(4-Methylbenzylidene)imidazolidine-2,4-dione
CID 697033
5-Phenylmethylenehydantoin
CID 843551

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione (CID 697473) is (5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione is CC(C)c1ccc(/C=C2\NC(=O)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is BURKMABBGWIRER-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8(2)10-5-3-9(4-6-10)7-11-12(16)15-13(17)14-11/h3-8H,1-2H3,(H2,14,15,16,17)/b11-7-.
What are the key properties of (5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 230.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 697473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).