(5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione

C13H13F2N3O2 — CID 2644230

IUPAC(5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(N=Cc2c(F)cccc2F)C1=O
InChIInChI=1S/C13H13F2N3O2/c1-3-13(2)11(19)18(12(20)17-13)16-7-8-9(14)5-4-6-10(8)15/h4-7H,3H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyNRLJIZKJAUPDFG-CYBMUJFWSA-N
MW281.26 g/mol
LogP2.02
Rot. Bonds3

About (5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione

(5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 2644230) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is (5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID2644230
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name(5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(N=Cc2c(F)cccc2F)C1=O
InChIInChI=1S/C13H13F2N3O2/c1-3-13(2)11(19)18(12(20)17-13)16-7-8-9(14)5-4-6-10(8)15/h4-7H,3H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyNRLJIZKJAUPDFG-CYBMUJFWSA-N
XLogP2.02
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349955
(5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 2644225
3-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 42912678
5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione
CID 16556217
3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 135558475
(5S)-3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 135852536
3-[(E)-(4-bromothiophen-2-yl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 42995813
(5S)-3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 2644130
(5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 29228573
(5S)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 2695701
3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18291300
(5S)-3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 135852539

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 2644230) is (5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione is CC[C@@]1(C)NC(=O)N(N=Cc2c(F)cccc2F)C1=O.
What is the InChIKey of (5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is NRLJIZKJAUPDFG-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-3-13(2)11(19)18(12(20)17-13)16-7-8-9(14)5-4-6-10(8)15/h4-7H,3H2,1-2H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
(5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 281.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2644230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).