5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione

C21H21F2N3O5 — CID 4590732

IUPAC5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(C=NN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)cc1OC
InChIInChI=1S/C21H21F2N3O5/c1-4-30-16-10-5-13(11-17(16)29-3)12-24-26-18(27)21(2,25-20(26)28)14-6-8-15(9-7-14)31-19(22)23/h5-12,19H,4H2,1-3H3,(H,25,28)
InChIKeyWKABYMLTZVBALE-UHFFFAOYSA-N
MW433.41 g/mol
LogP3.50
Rot. Bonds8

About 5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione

5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 4590732) has the molecular formula C21H21F2N3O5 and a molecular weight of 433.41 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID4590732
Molecular FormulaC21H21F2N3O5
Molecular Weight433.41 g/mol
Exact Mass433.14
IUPAC Name5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(C=NN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)cc1OC
InChIInChI=1S/C21H21F2N3O5/c1-4-30-16-10-5-13(11-17(16)29-3)12-24-26-18(27)21(2,25-20(26)28)14-6-8-15(9-7-14)31-19(22)23/h5-12,19H,4H2,1-3H3,(H,25,28)
InChIKeyWKABYMLTZVBALE-UHFFFAOYSA-N
XLogP3.50
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 53.50
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'}

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Related Compounds

3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 4037808
5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42912687
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2514881
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione
CID 2695924
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-2-ylmethylideneamino)imidazolidine-2,4-dione
CID 2695896
5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione
CID 4239322
3-[(4-chloro-3-nitrophenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 4831250
5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42995825
(5S)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135562560
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(thiophen-2-ylmethylideneamino)imidazolidine-2,4-dione
CID 2695897
(5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297392
3-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 18225564

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (CID 4590732) is 5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is CCOc1ccc(C=NN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)cc1OC.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is WKABYMLTZVBALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O5/c1-4-30-16-10-5-13(11-17(16)29-3)12-24-26-18(27)21(2,25-20(26)28)14-6-8-15(9-7-14)31-19(22)23/h5-12,19H,4H2,1-3H3,(H,25,28).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione has a molecular weight of 433.41 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 4590732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).