1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione

C13H13F2N3O5 — CID 9351335

IUPAC1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione
SMILESCOc1cc(/C=N\N2CC(=O)NC2=O)cc(OC)c1OC(F)F
InChIInChI=1S/C13H13F2N3O5/c1-21-8-3-7(4-9(22-2)11(8)23-12(14)15)5-16-18-6-10(19)17-13(18)20/h3-5,12H,6H2,1-2H3,(H,17,19,20)/b16-5-
InChIKeyNSMDPHQCDCNMLX-BNCCVWRVSA-N
MW329.26 g/mol
LogP1.19
Rot. Bonds6

About 1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione

1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 9351335) has the molecular formula C13H13F2N3O5 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione
PubChem CID9351335
Molecular FormulaC13H13F2N3O5
Molecular Weight329.26 g/mol
Exact Mass329.08
IUPAC Name1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione
SMILESCOc1cc(/C=N\N2CC(=O)NC2=O)cc(OC)c1OC(F)F
InChIInChI=1S/C13H13F2N3O5/c1-21-8-3-7(4-9(22-2)11(8)23-12(14)15)5-16-18-6-10(19)17-13(18)20/h3-5,12H,6H2,1-2H3,(H,17,19,20)/b16-5-
InChIKeyNSMDPHQCDCNMLX-BNCCVWRVSA-N
XLogP1.19
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione with MolForge

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Related Compounds

5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 135520060
Ammonium, (((3,4,5-trimethoxybenzylidene)hydrazino)carbonylmethylene)-trimethyl-, chloride
CID 9570971
2-sulfanylidene-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazolidin-4-one
CID 172444315
trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium chloride
CID 6435675
trimethyl-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylene]hydrazino]ethyl]ammonium
CID 9570972
3-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 9657998
3-[(3,4,5-Trimethoxybenzylidene)amino]-4-oxoimidazolidin-2-thione
CID 129864911
3-[[4-(Difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 3913853
3-[[2,4-Bis(difluoromethoxy)phenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 4334549
trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium
CID 5474851
(5S)-3-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 5684087
(5R)-3-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 5684088

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione (CID 9351335) is 1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione is COc1cc(/C=N\N2CC(=O)NC2=O)cc(OC)c1OC(F)F.
What is the InChIKey of 1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is NSMDPHQCDCNMLX-BNCCVWRVSA-N. The full InChI is InChI=1S/C13H13F2N3O5/c1-21-8-3-7(4-9(22-2)11(8)23-12(14)15)5-16-18-6-10(19)17-13(18)20/h3-5,12H,6H2,1-2H3,(H,17,19,20)/b16-5-.
What are the key properties of 1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione?
1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione has a molecular weight of 329.26 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 9351335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).