(5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione

C17H16ClN3O3 — CID 29228573

IUPAC(5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(/N=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O
InChIInChI=1S/C17H16ClN3O3/c1-3-17(2)15(22)21(16(23)20-17)19-10-13-8-9-14(24-13)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H,20,23)/b19-10-/t17-/m1/s1
InChIKeyJMUVMYMUYBVXEX-KLSKMWHSSA-N
MW345.79 g/mol
LogP3.65
Rot. Bonds4

About (5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione

(5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 29228573) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is (5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID29228573
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name(5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(/N=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O
InChIInChI=1S/C17H16ClN3O3/c1-3-17(2)15(22)21(16(23)20-17)19-10-13-8-9-14(24-13)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H,20,23)/b19-10-/t17-/m1/s1
InChIKeyJMUVMYMUYBVXEX-KLSKMWHSSA-N
XLogP3.65
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-3-[(E)-furan-2-ylmethylideneamino]-5-methylimidazolidine-2,4-dione
CID 16556217
(5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 2644230
(1R,2S,6R,7R,8S,10S)-4-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98072553
(5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 2644225
3-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18272166
3-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 42912678
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione
CID 69352115
3-[(E)-(4-bromothiophen-2-yl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 42995813
2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione
CID 5437075
(5S)-3-[(Z)-(4-chlorophenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296437
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[3-(dimethylamino)propyl]-1,3-diazinan-2-one
CID 18704707
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione
CID 19375579

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 29228573) is (5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione is CC[C@@]1(C)NC(=O)N(/N=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O.
What is the InChIKey of (5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is JMUVMYMUYBVXEX-KLSKMWHSSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-3-17(2)15(22)21(16(23)20-17)19-10-13-8-9-14(24-13)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H,20,23)/b19-10-/t17-/m1/s1.
What are the key properties of (5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
(5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 345.79 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 29228573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).