(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione

C14H16N2O3 — CID 126255528

IUPAC(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2ccc(OC)cc2)C1=O
InChIInChI=1S/C14H16N2O3/c1-3-8-16-13(17)12(15-14(16)18)9-10-4-6-11(19-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,18)/b12-9+
InChIKeyUANCJHQNUJRPPO-FMIVXFBMSA-N
MW260.29 g/mol
LogP2.00
Rot. Bonds4

About (5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione

(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione (PubChem CID 126255528) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
PubChem CID126255528
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2ccc(OC)cc2)C1=O
InChIInChI=1S/C14H16N2O3/c1-3-8-16-13(17)12(15-14(16)18)9-10-4-6-11(19-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,18)/b12-9+
InChIKeyUANCJHQNUJRPPO-FMIVXFBMSA-N
XLogP2.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
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-methoxyphenyl)methylidene]-3-(2-oxopropyl)imidazolidine-2,4-dione
CID 139624764
N-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide
CID 171479616
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126226720
(5E)-5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126234865
1-butyl-5-[(4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 153319176
(5E)-5-[(3,5-diiodo-4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126252175
methyl 2-[4-[(E)-(1-ethyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate
CID 126251500
(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126241559
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 5426863
(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126554488
(5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride
CID 71508207

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione (CID 126255528) is (5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N/C(=C/c2ccc(OC)cc2)C1=O.
What is the InChIKey of (5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione?
The InChIKey is UANCJHQNUJRPPO-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-8-16-13(17)12(15-14(16)18)9-10-4-6-11(19-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,18)/b12-9+.
What are the key properties of (5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione?
(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione has a molecular weight of 260.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 126255528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).