(5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione

C18H13ClN2O5 — CID 5431191

IUPAC(5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cc2c(cc1/C=C1/NC(=O)N(c3cccc(Cl)c3)C1=O)OCO2
InChIInChI=1S/C18H13ClN2O5/c1-24-14-8-16-15(25-9-26-16)6-10(14)5-13-17(22)21(18(23)20-13)12-4-2-3-11(19)7-12/h2-8H,9H2,1H3,(H,20,23)/b13-5+
InChIKeyVDEKHFYXAKFVPD-WLRTZDKTSA-N
MW372.76 g/mol
LogP3.17
Rot. Bonds3

About (5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione

(5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 5431191) has the molecular formula C18H13ClN2O5 and a molecular weight of 372.76 g/mol. Its IUPAC name is (5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
PubChem CID5431191
Molecular FormulaC18H13ClN2O5
Molecular Weight372.76 g/mol
Exact Mass372.05
IUPAC Name(5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cc2c(cc1/C=C1/NC(=O)N(c3cccc(Cl)c3)C1=O)OCO2
InChIInChI=1S/C18H13ClN2O5/c1-24-14-8-16-15(25-9-26-16)6-10(14)5-13-17(22)21(18(23)20-13)12-4-2-3-11(19)7-12/h2-8H,9H2,1H3,(H,20,23)/b13-5+
InChIKeyVDEKHFYXAKFVPD-WLRTZDKTSA-N
XLogP3.17
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
CID 3414014
(5Z)-1-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126109914
3-(3-chlorophenyl)-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 1004687
(5Z)-5-[(5-chloro-2-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2177854
(5E)-3-(3-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 126080475
3-(3-chlorophenyl)-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4038187
(5E)-5-[(2-bromophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100863
3-(3-chlorophenyl)-5-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 3553310
3-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 3374568
methyl 2-[5-bromo-4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 21234076
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100759
(5E)-5-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126099184

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione (CID 5431191) is (5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione is COc1cc2c(cc1/C=C1/NC(=O)N(c3cccc(Cl)c3)C1=O)OCO2.
What is the InChIKey of (5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is VDEKHFYXAKFVPD-WLRTZDKTSA-N. The full InChI is InChI=1S/C18H13ClN2O5/c1-24-14-8-16-15(25-9-26-16)6-10(14)5-13-17(22)21(18(23)20-13)12-4-2-3-11(19)7-12/h2-8H,9H2,1H3,(H,20,23)/b13-5+.
What are the key properties of (5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione?
(5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 372.76 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 5431191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).