(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one

C34H24Cl2N4O2 — CID 6532748

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1CCN1C(=O)/C(=C\c2ccc(Cl)cc2)N=C1c1ccccc1
InChIInChI=1S/C34H24Cl2N4O2/c35-27-15-11-23(12-16-27)21-29-33(41)39(31(37-29)25-7-3-1-4-8-25)19-20-40-32(26-9-5-2-6-10-26)38-30(34(40)42)22-24-13-17-28(36)18-14-24/h1-18,21-22H,19-20H2/b29-21-,30-22+
InChIKeyIQXFYTDBNFLSJR-DWVPNOFWSA-N
MW591.50 g/mol
LogP6.95
Rot. Bonds7

About (5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one

(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one (PubChem CID 6532748) has the molecular formula C34H24Cl2N4O2 and a molecular weight of 591.50 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one
PubChem CID6532748
Molecular FormulaC34H24Cl2N4O2
Molecular Weight591.50 g/mol
Exact Mass590.13
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1CCN1C(=O)/C(=C\c2ccc(Cl)cc2)N=C1c1ccccc1
InChIInChI=1S/C34H24Cl2N4O2/c35-27-15-11-23(12-16-27)21-29-33(41)39(31(37-29)25-7-3-1-4-8-25)19-20-40-32(26-9-5-2-6-10-26)38-30(34(40)42)22-24-13-17-28(36)18-14-24/h1-18,21-22H,19-20H2/b29-21-,30-22+
InChIKeyIQXFYTDBNFLSJR-DWVPNOFWSA-N
XLogP6.95
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.50
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-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 (5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one (CID 6532748) is (5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one is O=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1CCN1C(=O)/C(=C\c2ccc(Cl)cc2)N=C1c1ccccc1.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one?
The InChIKey is IQXFYTDBNFLSJR-DWVPNOFWSA-N. The full InChI is InChI=1S/C34H24Cl2N4O2/c35-27-15-11-23(12-16-27)21-29-33(41)39(31(37-29)25-7-3-1-4-8-25)19-20-40-32(26-9-5-2-6-10-26)38-30(34(40)42)22-24-13-17-28(36)18-14-24/h1-18,21-22H,19-20H2/b29-21-,30-22+.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one has a molecular weight of 591.50 g/mol, XLogP of 6.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one is sourced from PubChem (CID 6532748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).