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

C26H22ClF2N3O5 — CID 4037808

IUPAC3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(C=NN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C26H22ClF2N3O5/c1-26(18-6-10-20(11-7-18)37-24(28)29)23(33)32(25(34)31-26)30-14-17-5-12-21(22(13-17)35-2)36-15-16-3-8-19(27)9-4-16/h3-14,24H,15H2,1-2H3,(H,31,34)
InChIKeyFLMWYWXGYOBALS-UHFFFAOYSA-N
MW529.93 g/mol
LogP5.33
Rot. Bonds9

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

3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 4037808) has the molecular formula C26H22ClF2N3O5 and a molecular weight of 529.93 g/mol. Its IUPAC name is 3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID4037808
Molecular FormulaC26H22ClF2N3O5
Molecular Weight529.93 g/mol
Exact Mass529.12
IUPAC Name3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(C=NN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C26H22ClF2N3O5/c1-26(18-6-10-20(11-7-18)37-24(28)29)23(33)32(25(34)31-26)30-14-17-5-12-21(22(13-17)35-2)36-15-16-3-8-19(27)9-4-16/h3-14,24H,15H2,1-2H3,(H,31,34)
InChIKeyFLMWYWXGYOBALS-UHFFFAOYSA-N
XLogP5.33
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.93
LogP ≤ 55.33
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 3-[[4-[(4-chlorophenyl)methoxy]-3-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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione (CID 4037808) is 3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione is COc1cc(C=NN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is FLMWYWXGYOBALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF2N3O5/c1-26(18-6-10-20(11-7-18)37-24(28)29)23(33)32(25(34)31-26)30-14-17-5-12-21(22(13-17)35-2)36-15-16-3-8-19(27)9-4-16/h3-14,24H,15H2,1-2H3,(H,31,34).
What are the key properties of 3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 529.93 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 4037808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).