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

C19H17F2N3O4 — CID 42912687

IUPAC5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(/C=N/N2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)c1
InChIInChI=1S/C19H17F2N3O4/c1-19(13-6-8-14(9-7-13)28-17(20)21)16(25)24(18(26)23-19)22-11-12-4-3-5-15(10-12)27-2/h3-11,17H,1-2H3,(H,23,26)/b22-11+
InChIKeyDVYIGNAASIEFQM-SSDVNMTOSA-N
MW389.36 g/mol
LogP3.10
Rot. Bonds6

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

5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 42912687) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID42912687
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC Name5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(/C=N/N2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)c1
InChIInChI=1S/C19H17F2N3O4/c1-19(13-6-8-14(9-7-13)28-17(20)21)16(25)24(18(26)23-19)22-11-12-4-3-5-15(10-12)27-2/h3-11,17H,1-2H3,(H,23,26)/b22-11+
InChIKeyDVYIGNAASIEFQM-SSDVNMTOSA-N
XLogP3.10
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (CID 42912687) is 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is COc1cccc(/C=N/N2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)c1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is DVYIGNAASIEFQM-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H17F2N3O4/c1-19(13-6-8-14(9-7-13)28-17(20)21)16(25)24(18(26)23-19)22-11-12-4-3-5-15(10-12)27-2/h3-11,17H,1-2H3,(H,23,26)/b22-11+.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione has a molecular weight of 389.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42912687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).