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

C13H14N2O3 — CID 11253625

IUPAC(5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCCOc1ccc(/C=C2\NC(=O)NC2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-2-7-18-10-5-3-9(4-6-10)8-11-12(16)15-13(17)14-11/h3-6,8H,2,7H2,1H3,(H2,14,15,16,17)/b11-8-
InChIKeyQDPZUOULKKMWCE-FLIBITNWSA-N
MW246.27 g/mol
LogP1.66
Rot. Bonds4

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

(5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 11253625) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID11253625
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCCOc1ccc(/C=C2\NC(=O)NC2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-2-7-18-10-5-3-9(4-6-10)8-11-12(16)15-13(17)14-11/h3-6,8H,2,7H2,1H3,(H2,14,15,16,17)/b11-8-
InChIKeyQDPZUOULKKMWCE-FLIBITNWSA-N
XLogP1.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 2914266
(5Z)-5-[(4-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697033
5-[(4-ethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2788892
(2S)-2-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]propanoic acid
CID 963234
(5E)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 1121429
5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 3930330
4-[[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 2913811
2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 2911575
(5E)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 727382
(5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione
CID 18345973
(5E)-5-benzylideneimidazolidine-2,4-dione;ethane
CID 91247316
5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one
CID 57258764

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 11253625) is (5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione is CCCOc1ccc(/C=C2\NC(=O)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is QDPZUOULKKMWCE-FLIBITNWSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-7-18-10-5-3-9(4-6-10)8-11-12(16)15-13(17)14-11/h3-6,8H,2,7H2,1H3,(H2,14,15,16,17)/b11-8-.
What are the key properties of (5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 11253625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).