(5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione

C20H21N3O4 — CID 9296516

IUPAC(5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(/N=C\c2cccc(OC)c2OC)C1=O
InChIInChI=1S/C20H21N3O4/c1-4-20(15-10-6-5-7-11-15)18(24)23(19(25)22-20)21-13-14-9-8-12-16(26-2)17(14)27-3/h5-13H,4H2,1-3H3,(H,22,25)/b21-13-/t20-/m1/s1
InChIKeyZTJBWWNZWVWBKW-TUNPGAEXSA-N
MW367.41 g/mol
LogP2.89
Rot. Bonds6

About (5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione

(5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 9296516) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is (5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID9296516
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name(5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(/N=C\c2cccc(OC)c2OC)C1=O
InChIInChI=1S/C20H21N3O4/c1-4-20(15-10-6-5-7-11-15)18(24)23(19(25)22-20)21-13-14-9-8-12-16(26-2)17(14)27-3/h5-13H,4H2,1-3H3,(H,22,25)/b21-13-/t20-/m1/s1
InChIKeyZTJBWWNZWVWBKW-TUNPGAEXSA-N
XLogP2.89
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.89
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-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-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9297456
(5R)-5-ethyl-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296879
(5S)-5-ethyl-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296878
(5R)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296492
(5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9297483
(5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297392
(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)-(4-bromothiophen-2-yl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297167
(5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9297603

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 9296516) is (5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione is CC[C@]1(c2ccccc2)NC(=O)N(/N=C\c2cccc(OC)c2OC)C1=O.
What is the InChIKey of (5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is ZTJBWWNZWVWBKW-TUNPGAEXSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-20(15-10-6-5-7-11-15)18(24)23(19(25)22-20)21-13-14-9-8-12-16(26-2)17(14)27-3/h5-13H,4H2,1-3H3,(H,22,25)/b21-13-/t20-/m1/s1.
What are the key properties of (5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
(5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 367.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 9296516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).