5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione

C11H9ClN2O3 — CID 3969795

IUPAC5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(C=C2NC(=O)NC2=O)cc1Cl
InChIInChI=1S/C11H9ClN2O3/c1-17-9-3-2-6(4-7(9)12)5-8-10(15)14-11(16)13-8/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyLZJSRIDBTAGIAT-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.53
Rot. Bonds2

About 5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione

5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 3969795) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID3969795
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(C=C2NC(=O)NC2=O)cc1Cl
InChIInChI=1S/C11H9ClN2O3/c1-17-9-3-2-6(4-7(9)12)5-8-10(15)14-11(16)13-8/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyLZJSRIDBTAGIAT-UHFFFAOYSA-N
XLogP1.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.53
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

(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2189796
(5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2271864
[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenyl] acetate
CID 54271325
(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 760516
(5E)-5-[(3-methoxy-4-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 24752455
(5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 21215971
2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]acetamide
CID 697105
5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2848836
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 717415
5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
CID 69462356
5-[(3-chloro-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 4654737
(5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
CID 69458848

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 3969795) is 5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione is COc1ccc(C=C2NC(=O)NC2=O)cc1Cl.
What is the InChIKey of 5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is LZJSRIDBTAGIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-17-9-3-2-6(4-7(9)12)5-8-10(15)14-11(16)13-8/h2-5H,1H3,(H2,13,14,15,16).
What are the key properties of 5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 252.66 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 3969795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).