2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one

C15H10Cl2N2O2 — CID 4892035

IUPAC2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one
SMILESCN1C(=O)C(=Cc2ccco2)N=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2N2O2/c1-19-14(11-5-4-9(16)7-12(11)17)18-13(15(19)20)8-10-3-2-6-21-10/h2-8H,1H3
InChIKeyLBLFCHNJWYWLBB-UHFFFAOYSA-N
MW321.16 g/mol
LogP3.85
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one

2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one (PubChem CID 4892035) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one
PubChem CID4892035
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one
SMILESCN1C(=O)C(=Cc2ccco2)N=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2N2O2/c1-19-14(11-5-4-9(16)7-12(11)17)18-13(15(19)20)8-10-3-2-6-21-10/h2-8H,1H3
InChIKeyLBLFCHNJWYWLBB-UHFFFAOYSA-N
XLogP3.85
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one 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 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one (CID 4892035) is 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one is CN1C(=O)C(=Cc2ccco2)N=C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one?
The InChIKey is LBLFCHNJWYWLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c1-19-14(11-5-4-9(16)7-12(11)17)18-13(15(19)20)8-10-3-2-6-21-10/h2-8H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one?
2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one has a molecular weight of 321.16 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one is sourced from PubChem (CID 4892035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).