4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile

C22H13Cl2N3O3 — CID 6521608

IUPAC4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1
InChIInChI=1S/C22H13Cl2N3O3/c23-17-7-3-14(9-18(17)24)12-27-21(28)19(26-22(27)29)10-16-6-8-20(30-16)15-4-1-13(11-25)2-5-15/h1-10H,12H2,(H,26,29)/b19-10-
InChIKeyIOTOIZHVAMYJOC-GRSHGNNSSA-N
MW438.27 g/mol
LogP5.22
Rot. Bonds4

About 4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile

4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile (PubChem CID 6521608) has the molecular formula C22H13Cl2N3O3 and a molecular weight of 438.27 g/mol. Its IUPAC name is 4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile
PubChem CID6521608
Molecular FormulaC22H13Cl2N3O3
Molecular Weight438.27 g/mol
Exact Mass437.03
IUPAC Name4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1
InChIInChI=1S/C22H13Cl2N3O3/c23-17-7-3-14(9-18(17)24)12-27-21(28)19(26-22(27)29)10-16-6-8-20(30-16)15-4-1-13(11-25)2-5-15/h1-10H,12H2,(H,26,29)/b19-10-
InChIKeyIOTOIZHVAMYJOC-GRSHGNNSSA-N
XLogP5.22
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.27
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile 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 4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile?
The IUPAC name of 4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile (CID 6521608) is 4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile.
What is the SMILES notation for 4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile?
The canonical SMILES for 4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile is N#Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1.
What is the InChIKey of 4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile?
The InChIKey is IOTOIZHVAMYJOC-GRSHGNNSSA-N. The full InChI is InChI=1S/C22H13Cl2N3O3/c23-17-7-3-14(9-18(17)24)12-27-21(28)19(26-22(27)29)10-16-6-8-20(30-16)15-4-1-13(11-25)2-5-15/h1-10H,12H2,(H,26,29)/b19-10-.
What are the key properties of 4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile?
4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile has a molecular weight of 438.27 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile is sourced from PubChem (CID 6521608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).