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

C20H19F2N3O6 — CID 135852725

IUPAC(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(/C=N/N2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc(OC)c1O
InChIInChI=1S/C20H19F2N3O6/c1-20(12-4-6-13(7-5-12)31-18(21)22)17(27)25(19(28)24-20)23-10-11-8-14(29-2)16(26)15(9-11)30-3/h4-10,18,26H,1-3H3,(H,24,28)/b23-10+/t20-/m1/s1
InChIKeyJSQWLPDTHSWXRV-IALIPVNLSA-N
MW435.38 g/mol
LogP2.81
Rot. Bonds7

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

(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 135852725) has the molecular formula C20H19F2N3O6 and a molecular weight of 435.38 g/mol. Its IUPAC name is (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID135852725
Molecular FormulaC20H19F2N3O6
Molecular Weight435.38 g/mol
Exact Mass435.12
IUPAC Name(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(/C=N/N2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc(OC)c1O
InChIInChI=1S/C20H19F2N3O6/c1-20(12-4-6-13(7-5-12)31-18(21)22)17(27)25(19(28)24-20)23-10-11-8-14(29-2)16(26)15(9-11)30-3/h4-10,18,26H,1-3H3,(H,24,28)/b23-10+/t20-/m1/s1
InChIKeyJSQWLPDTHSWXRV-IALIPVNLSA-N
XLogP2.81
TPSA109.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (CID 135852725) is (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is COc1cc(/C=N/N2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc(OC)c1O.
What is the InChIKey of (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is JSQWLPDTHSWXRV-IALIPVNLSA-N. The full InChI is InChI=1S/C20H19F2N3O6/c1-20(12-4-6-13(7-5-12)31-18(21)22)17(27)25(19(28)24-20)23-10-11-8-14(29-2)16(26)15(9-11)30-3/h4-10,18,26H,1-3H3,(H,24,28)/b23-10+/t20-/m1/s1.
What are the key properties of (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione has a molecular weight of 435.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135852725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).