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

C19H16BrF2N3O5 — CID 135678956

IUPAC3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(/C=N/N2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)cc(Br)c1O
InChIInChI=1S/C19H16BrF2N3O5/c1-19(11-3-5-12(6-4-11)30-17(21)22)16(27)25(18(28)24-19)23-9-10-7-13(20)15(26)14(8-10)29-2/h3-9,17,26H,1-2H3,(H,24,28)/b23-9+
InChIKeyBXDSJUDHIDXTOS-NUGSKGIGSA-N
MW484.25 g/mol
LogP3.57
Rot. Bonds6

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

3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 135678956) has the molecular formula C19H16BrF2N3O5 and a molecular weight of 484.25 g/mol. Its IUPAC name is 3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID135678956
Molecular FormulaC19H16BrF2N3O5
Molecular Weight484.25 g/mol
Exact Mass483.02
IUPAC Name3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(/C=N/N2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)cc(Br)c1O
InChIInChI=1S/C19H16BrF2N3O5/c1-19(11-3-5-12(6-4-11)30-17(21)22)16(27)25(18(28)24-19)23-9-10-7-13(20)15(26)14(8-10)29-2/h3-9,17,26H,1-2H3,(H,24,28)/b23-9+
InChIKeyBXDSJUDHIDXTOS-NUGSKGIGSA-N
XLogP3.57
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.25
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 135520034
3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 135520067
5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 9678102
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2695906
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2695917
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2695918
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2695931
5-[4-(Difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 4590732
3-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 5021585
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 5635620
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 5635621
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(Z)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 5701079

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione (CID 135678956) is 3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione is COc1cc(/C=N/N2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)cc(Br)c1O.
What is the InChIKey of 3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is BXDSJUDHIDXTOS-NUGSKGIGSA-N. The full InChI is InChI=1S/C19H16BrF2N3O5/c1-19(11-3-5-12(6-4-11)30-17(21)22)16(27)25(18(28)24-19)23-9-10-7-13(20)15(26)14(8-10)29-2/h3-9,17,26H,1-2H3,(H,24,28)/b23-9+.
What are the key properties of 3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 484.25 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135678956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).