3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione

C14H17ClN4O2 — CID 58987854

IUPAC3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione
SMILESCNc1ccc(Cl)cc1/C(C)=N/N1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H17ClN4O2/c1-8(10-7-9(15)5-6-11(10)16-4)18-19-12(20)14(2,3)17-13(19)21/h5-7,16H,1-4H3,(H,17,21)/b18-8+
InChIKeyIDGKTEYDSXTKKU-QGMBQPNBSA-N
MW308.77 g/mol
LogP2.44
Rot. Bonds3

About 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione

3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 58987854) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID58987854
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione
SMILESCNc1ccc(Cl)cc1/C(C)=N/N1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H17ClN4O2/c1-8(10-7-9(15)5-6-11(10)16-4)18-19-12(20)14(2,3)17-13(19)21/h5-7,16H,1-4H3,(H,17,21)/b18-8+
InChIKeyIDGKTEYDSXTKKU-QGMBQPNBSA-N
XLogP2.44
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.44
H-Bond Donors ≤ 52
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

1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione
CID 91500784
4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
CID 91415552
4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 91332262
4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 58987656
N-(2,4-dichlorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266430
4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90885434
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213512
2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline
CID 91391207
4-chloro-2-[(Z)-N-indazol-2-yl-C-methylcarbonimidoyl]-N-methylaniline
CID 91258631
4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide
CID 58987672
3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline
CID 91183805
4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90733537

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione (CID 58987854) is 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione is CNc1ccc(Cl)cc1/C(C)=N/N1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is IDGKTEYDSXTKKU-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-8(10-7-9(15)5-6-11(10)16-4)18-19-12(20)14(2,3)17-13(19)21/h5-7,16H,1-4H3,(H,17,21)/b18-8+.
What are the key properties of 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione?
3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 308.77 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 58987854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).