(5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione

C20H19N3O5 — CID 9297483

IUPAC(5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(/N=C\c2cc(OC)c3c(c2)OCO3)C1=O
InChIInChI=1S/C20H19N3O5/c1-3-20(14-7-5-4-6-8-14)18(24)23(19(25)22-20)21-11-13-9-15(26-2)17-16(10-13)27-12-28-17/h4-11H,3,12H2,1-2H3,(H,22,25)/b21-11-/t20-/m1/s1
InChIKeyMOMJTJSBBGRRSJ-PBMUUGLVSA-N
MW381.39 g/mol
LogP2.62
Rot. Bonds5

About (5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione

(5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione (PubChem CID 9297483) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is (5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione
PubChem CID9297483
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name(5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(/N=C\c2cc(OC)c3c(c2)OCO3)C1=O
InChIInChI=1S/C20H19N3O5/c1-3-20(14-7-5-4-6-8-14)18(24)23(19(25)22-20)21-11-13-9-15(26-2)17-16(10-13)27-12-28-17/h4-11H,3,12H2,1-2H3,(H,22,25)/b21-11-/t20-/m1/s1
InChIKeyMOMJTJSBBGRRSJ-PBMUUGLVSA-N
XLogP2.62
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.62
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'}

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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)-5-ethyl-5-phenyl-3-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9296728
(5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297392
(5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296516
(5S)-3-[(Z)-(4-chlorophenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296437
(5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 135800304
(5R)-3-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296822
(5R)-3-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297488
4-[(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 5214394
(5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9297456

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione (CID 9297483) is (5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione is CC[C@]1(c2ccccc2)NC(=O)N(/N=C\c2cc(OC)c3c(c2)OCO3)C1=O.
What is the InChIKey of (5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
The InChIKey is MOMJTJSBBGRRSJ-PBMUUGLVSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-3-20(14-7-5-4-6-8-14)18(24)23(19(25)22-20)21-11-13-9-15(26-2)17-16(10-13)27-12-28-17/h4-11H,3,12H2,1-2H3,(H,22,25)/b21-11-/t20-/m1/s1.
What are the key properties of (5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
(5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione has a molecular weight of 381.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 9297483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).