(5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one

C44H42Cl4N4O4 — CID 6223588

About (5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one

(5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one (PubChem CID 6223588) has the molecular formula C44H42Cl4N4O4 and a molecular weight of 832.66 g/mol. Its IUPAC name is (5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one.

Molecular Properties

• Compound Name: (5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one
• PubChem CID: 6223588
• Molecular Formula: C44H42Cl4N4O4
• Molecular Weight: 832.66 g/mol
• Exact Mass: 830.20
• IUPAC Name: (5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one
• SMILES: CC(C)Oc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)N(CCCCCCN3C(=O)/C(=C\c4ccc(OC(C)C)cc4)N=C3c3ccc(Cl)cc3Cl)C2=O)cc1
• InChI: InChI=1S/C44H42Cl4N4O4/c1-27(2)55-33-15-9-29(10-16-33)23-39-43(53)51(41(49-39)35-19-13-31(45)25-37(35)47)21-7-5-6-8-22-52-42(36-20-14-32(46)26-38(36)48)50-40(44(52)54)24-30-11-17-34(18-12-30)56-28(3)4/h9-20,23-28H,5-8,21-22H2,1-4H3/b39-23-,40-24+
• InChIKey: CPQDHZDXYYCNII-ODXITWNISA-N
• XLogP: 11.40
• TPSA: 83.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.66
LogP ≤ 5	11.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one?

The IUPAC name of (5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one (CID 6223588) is (5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one.

What is the SMILES notation for (5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one?

The canonical SMILES for (5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one is CC(C)Oc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)N(CCCCCCN3C(=O)/C(=C\c4ccc(OC(C)C)cc4)N=C3c3ccc(Cl)cc3Cl)C2=O)cc1.

What is the InChIKey of (5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one?

The InChIKey is CPQDHZDXYYCNII-ODXITWNISA-N. The full InChI is InChI=1S/C44H42Cl4N4O4/c1-27(2)55-33-15-9-29(10-16-33)23-39-43(53)51(41(49-39)35-19-13-31(45)25-37(35)47)21-7-5-6-8-22-52-42(36-20-14-32(46)26-38(36)48)50-40(44(52)54)24-30-11-17-34(18-12-30)56-28(3)4/h9-20,23-28H,5-8,21-22H2,1-4H3/b39-23-,40-24+.

What are the key properties of (5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one?

(5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one has a molecular weight of 832.66 g/mol, XLogP of 11.40, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one is sourced from PubChem (CID 6223588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).