1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione

C19H18ClN3O5 — CID 9350990

IUPAC1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione
SMILESCOc1cc(/C=N\N2CC(=O)NC2=O)ccc1OCCOc1ccccc1Cl
InChIInChI=1S/C19H18ClN3O5/c1-26-17-10-13(11-21-23-12-18(24)22-19(23)25)6-7-16(17)28-9-8-27-15-5-3-2-4-14(15)20/h2-7,10-11H,8-9,12H2,1H3,(H,22,24,25)/b21-11-
InChIKeyGSCGBMOAELZTER-NHDPSOOVSA-N
MW403.82 g/mol
LogP2.69
Rot. Bonds8

About 1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione

1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 9350990) has the molecular formula C19H18ClN3O5 and a molecular weight of 403.82 g/mol. Its IUPAC name is 1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione
PubChem CID9350990
Molecular FormulaC19H18ClN3O5
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC Name1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione
SMILESCOc1cc(/C=N\N2CC(=O)NC2=O)ccc1OCCOc1ccccc1Cl
InChIInChI=1S/C19H18ClN3O5/c1-26-17-10-13(11-21-23-12-18(24)22-19(23)25)6-7-16(17)28-9-8-27-15-5-3-2-4-14(15)20/h2-7,10-11H,8-9,12H2,1H3,(H,22,24,25)/b21-11-
InChIKeyGSCGBMOAELZTER-NHDPSOOVSA-N
XLogP2.69
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9351018
1-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9351065
(E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine
CID 6902534
(2S)-N-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]-2-cyano-2-phenylacetamide
CID 126201266
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione
CID 18280814
2-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576315
(8R)-6-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 6876042
2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene
CID 2283961
3-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]-2-(2,3-dihydroindole-1-carbonyl)prop-2-enenitrile
CID 3385178
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2899329

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione (CID 9350990) is 1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione is COc1cc(/C=N\N2CC(=O)NC2=O)ccc1OCCOc1ccccc1Cl.
What is the InChIKey of 1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is GSCGBMOAELZTER-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H18ClN3O5/c1-26-17-10-13(11-21-23-12-18(24)22-19(23)25)6-7-16(17)28-9-8-27-15-5-3-2-4-14(15)20/h2-7,10-11H,8-9,12H2,1H3,(H,22,24,25)/b21-11-.
What are the key properties of 1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione?
1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione has a molecular weight of 403.82 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 9350990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).