(5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione

C20H19F2N3O4 — CID 9297392

IUPAC(5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(/N=C\c2ccc(OC)c(OC(F)F)c2)C1=O
InChIInChI=1S/C20H19F2N3O4/c1-3-20(14-7-5-4-6-8-14)17(26)25(19(27)24-20)23-12-13-9-10-15(28-2)16(11-13)29-18(21)22/h4-12,18H,3H2,1-2H3,(H,24,27)/b23-12-/t20-/m0/s1
InChIKeyHOQJOQIBAUBMSK-BIFQTZPZSA-N
MW403.39 g/mol
LogP3.49
Rot. Bonds7

About (5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione

(5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 9297392) has the molecular formula C20H19F2N3O4 and a molecular weight of 403.39 g/mol. Its IUPAC name is (5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID9297392
Molecular FormulaC20H19F2N3O4
Molecular Weight403.39 g/mol
Exact Mass403.13
IUPAC Name(5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(/N=C\c2ccc(OC)c(OC(F)F)c2)C1=O
InChIInChI=1S/C20H19F2N3O4/c1-3-20(14-7-5-4-6-8-14)17(26)25(19(27)24-20)23-12-13-9-10-15(28-2)16(11-13)29-18(21)22/h4-12,18H,3H2,1-2H3,(H,24,27)/b23-12-/t20-/m0/s1
InChIKeyHOQJOQIBAUBMSK-BIFQTZPZSA-N
XLogP3.49
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.49
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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Related Compounds

(5R)-5-ethyl-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296879
(5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 135800290
(5S)-5-ethyl-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296878
(5R)-3-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297488
(5R)-5-ethyl-5-phenyl-3-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9296728
(5R)-3-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296822
(5R)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296492
(5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 135800304
(5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9297483
(5S)-3-[(Z)-(4-chlorophenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296437
4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate
CID 9297096
5-[4-(difluoromethoxy)phenyl]-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 4590732

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 9297392) is (5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione is CC[C@@]1(c2ccccc2)NC(=O)N(/N=C\c2ccc(OC)c(OC(F)F)c2)C1=O.
What is the InChIKey of (5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is HOQJOQIBAUBMSK-BIFQTZPZSA-N. The full InChI is InChI=1S/C20H19F2N3O4/c1-3-20(14-7-5-4-6-8-14)17(26)25(19(27)24-20)23-12-13-9-10-15(28-2)16(11-13)29-18(21)22/h4-12,18H,3H2,1-2H3,(H,24,27)/b23-12-/t20-/m0/s1.
What are the key properties of (5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 403.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 9297392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).