(5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one

C34H22Cl4N4O2 — CID 6223567

IUPAC(5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one
SMILESO=C1/C(=C/c2ccccc2)N=C(c2ccc(Cl)cc2Cl)N1CCN1C(=O)/C(=C\c2ccccc2)N=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C34H22Cl4N4O2/c35-23-11-13-25(27(37)19-23)31-39-29(17-21-7-3-1-4-8-21)33(43)41(31)15-16-42-32(26-14-12-24(36)20-28(26)38)40-30(34(42)44)18-22-9-5-2-6-10-22/h1-14,17-20H,15-16H2/b29-17-,30-18+
InChIKeyBCTWTEDHPLDSSL-QCOHSWCKSA-N
MW660.39 g/mol
LogP8.26
Rot. Bonds7

About (5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one

(5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one (PubChem CID 6223567) has the molecular formula C34H22Cl4N4O2 and a molecular weight of 660.39 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one
PubChem CID6223567
Molecular FormulaC34H22Cl4N4O2
Molecular Weight660.39 g/mol
Exact Mass658.05
IUPAC Name(5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one
SMILESO=C1/C(=C/c2ccccc2)N=C(c2ccc(Cl)cc2Cl)N1CCN1C(=O)/C(=C\c2ccccc2)N=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C34H22Cl4N4O2/c35-23-11-13-25(27(37)19-23)31-39-29(17-21-7-3-1-4-8-21)33(43)41(31)15-16-42-32(26-14-12-24(36)20-28(26)38)40-30(34(42)44)18-22-9-5-2-6-10-22/h1-14,17-20H,15-16H2/b29-17-,30-18+
InChIKeyBCTWTEDHPLDSSL-QCOHSWCKSA-N
XLogP8.26
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.39
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one with MolForge

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Related Compounds

2-(2,4-Dichloro-phenyl)-5-dipropylamino-3-ethyl-6-methyl-3H-pyrimidin-4-one
CID 22324320
4H-Imidazol-4-one, 3,5-dihydro-5-((4-chlorophenyl)methylene)-3-(((2-chlorophenyl)methylene)amino)-2-phenyl-
CID 9589187
4H-Imidazol-4-one, 3,5-dihydro-5-((2-chlorophenyl)methylene)-3-(((4-chlorophenyl)methylene)amino)-2-phenyl-
CID 9589235
(5Z)-3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 5702436
(5E)-5-[(2-chlorophenyl)methylidene]-2-phenyl-3-prop-2-enylimidazol-4-one
CID 5715029
5-Amino-3-benzyl-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-one
CID 172736601
(5Z)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-5-[(2-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 71514376
(5E)-5-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1H-imidazol-4-one
CID 135448408
3-[2-(4-Chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 2732487
N-[4-[4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide
CID 1275098
3-Cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 1275983
3-Benzyl-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 1535953

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one?
The IUPAC name of (5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one (CID 6223567) is (5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one?
The canonical SMILES for (5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one is O=C1/C(=C/c2ccccc2)N=C(c2ccc(Cl)cc2Cl)N1CCN1C(=O)/C(=C\c2ccccc2)N=C1c1ccc(Cl)cc1Cl.
What is the InChIKey of (5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one?
The InChIKey is BCTWTEDHPLDSSL-QCOHSWCKSA-N. The full InChI is InChI=1S/C34H22Cl4N4O2/c35-23-11-13-25(27(37)19-23)31-39-29(17-21-7-3-1-4-8-21)33(43)41(31)15-16-42-32(26-14-12-24(36)20-28(26)38)40-30(34(42)44)18-22-9-5-2-6-10-22/h1-14,17-20H,15-16H2/b29-17-,30-18+.
What are the key properties of (5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one?
(5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one has a molecular weight of 660.39 g/mol, XLogP of 8.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one is sourced from PubChem (CID 6223567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).