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

C19H15ClN2O5 — CID 3414014

IUPAC3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
SMILESCCOc1cc2c(cc1C=C1NC(=O)N(c3cccc(Cl)c3)C1=O)OCO2
InChIInChI=1S/C19H15ClN2O5/c1-2-25-15-9-17-16(26-10-27-17)7-11(15)6-14-18(23)22(19(24)21-14)13-5-3-4-12(20)8-13/h3-9H,2,10H2,1H3,(H,21,24)
InChIKeyHWDZMPUGLONSQV-UHFFFAOYSA-N
MW386.79 g/mol
LogP3.56
Rot. Bonds4

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

3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 3414014) has the molecular formula C19H15ClN2O5 and a molecular weight of 386.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
PubChem CID3414014
Molecular FormulaC19H15ClN2O5
Molecular Weight386.79 g/mol
Exact Mass386.07
IUPAC Name3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
SMILESCCOc1cc2c(cc1C=C1NC(=O)N(c3cccc(Cl)c3)C1=O)OCO2
InChIInChI=1S/C19H15ClN2O5/c1-2-25-15-9-17-16(26-10-27-17)7-11(15)6-14-18(23)22(19(24)21-14)13-5-3-4-12(20)8-13/h3-9H,2,10H2,1H3,(H,21,24)
InChIKeyHWDZMPUGLONSQV-UHFFFAOYSA-N
XLogP3.56
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 53.56
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

(5E)-3-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
CID 5431191
3-(3-chlorophenyl)-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4038187
5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 3408548
(5Z)-3-(3-chlorophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6520407
2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate
CID 2190358
5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 1004078
(5Z)-1-(3,4-dimethylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126104208
3-(3-chlorophenyl)-5-[(3,4-diethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
CID 5253922
(5E)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione
CID 126396207
(5Z)-1-(3-chlorophenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126109914
(5E)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
CID 896566
(5E)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 126255727

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione (CID 3414014) is 3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione is CCOc1cc2c(cc1C=C1NC(=O)N(c3cccc(Cl)c3)C1=O)OCO2.
What is the InChIKey of 3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is HWDZMPUGLONSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O5/c1-2-25-15-9-17-16(26-10-27-17)7-11(15)6-14-18(23)22(19(24)21-14)13-5-3-4-12(20)8-13/h3-9H,2,10H2,1H3,(H,21,24).
What are the key properties of 3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione?
3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 386.79 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 3414014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).