sodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione

C14H8Cl2N3NaO3 — CID 23703104

IUPACsodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione
SMILESO=C1CN(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)[N-]1.[Na+]
InChIInChI=1S/C14H9Cl2N3O3.Na/c15-10-3-1-8(5-11(10)16)12-4-2-9(22-12)6-17-19-7-13(20)18-14(19)21;/h1-6H,7H2,(H,18,20,21);/q;+1/p-1/b17-6+;
InChIKeyODQGDRHHSQIKSM-ZDEOBDHWSA-M
MW360.13 g/mol
LogP0.93
Rot. Bonds3

About sodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione

sodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione (PubChem CID 23703104) has the molecular formula C14H8Cl2N3NaO3 and a molecular weight of 360.13 g/mol. Its IUPAC name is sodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione.

Molecular Properties

Compound Namesodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione
PubChem CID23703104
Molecular FormulaC14H8Cl2N3NaO3
Molecular Weight360.13 g/mol
Exact Mass358.98
IUPAC Namesodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione
SMILESO=C1CN(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)[N-]1.[Na+]
InChIInChI=1S/C14H9Cl2N3O3.Na/c15-10-3-1-8(5-11(10)16)12-4-2-9(22-12)6-17-19-7-13(20)18-14(19)21;/h1-6H,7H2,(H,18,20,21);/q;+1/p-1/b17-6+;
InChIKeyODQGDRHHSQIKSM-ZDEOBDHWSA-M
XLogP0.93
TPSA76.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione?
The IUPAC name of sodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione (CID 23703104) is sodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione.
What is the SMILES notation for sodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione?
The canonical SMILES for sodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione is O=C1CN(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)[N-]1.[Na+].
What is the InChIKey of sodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione?
The InChIKey is ODQGDRHHSQIKSM-ZDEOBDHWSA-M. The full InChI is InChI=1S/C14H9Cl2N3O3.Na/c15-10-3-1-8(5-11(10)16)12-4-2-9(22-12)6-17-19-7-13(20)18-14(19)21;/h1-6H,7H2,(H,18,20,21);/q;+1/p-1/b17-6+;.
What are the key properties of sodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione?
sodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione has a molecular weight of 360.13 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidin-3-ide-2,4-dione is sourced from PubChem (CID 23703104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).