4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol

C24H17Cl2N3O3 — CID 136647811

IUPAC4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol
SMILESO=[N+]([O-])c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C24H17Cl2N3O3/c25-18-6-11-21(22(26)13-18)23-15-28(14-17-1-7-19(8-2-17)29(31)32)24(27-23)12-5-16-3-9-20(30)10-4-16/h1-13,15,30H,14H2
InChIKeyJEZPMHJJVISGEM-UHFFFAOYSA-N
MW466.32 g/mol
LogP6.69
Rot. Bonds6

About 4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol

4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol (PubChem CID 136647811) has the molecular formula C24H17Cl2N3O3 and a molecular weight of 466.32 g/mol. Its IUPAC name is 4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol.

Molecular Properties

Compound Name4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol
PubChem CID136647811
Molecular FormulaC24H17Cl2N3O3
Molecular Weight466.32 g/mol
Exact Mass465.06
IUPAC Name4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol
SMILESO=[N+]([O-])c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C24H17Cl2N3O3/c25-18-6-11-21(22(26)13-18)23-15-28(14-17-1-7-19(8-2-17)29(31)32)24(27-23)12-5-16-3-9-20(30)10-4-16/h1-13,15,30H,14H2
InChIKeyJEZPMHJJVISGEM-UHFFFAOYSA-N
XLogP6.69
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.32
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol?
The IUPAC name of 4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol (CID 136647811) is 4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol.
What is the SMILES notation for 4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol?
The canonical SMILES for 4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol is O=[N+]([O-])c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol?
The InChIKey is JEZPMHJJVISGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O3/c25-18-6-11-21(22(26)13-18)23-15-28(14-17-1-7-19(8-2-17)29(31)32)24(27-23)12-5-16-3-9-20(30)10-4-16/h1-13,15,30H,14H2.
What are the key properties of 4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol?
4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol has a molecular weight of 466.32 g/mol, XLogP of 6.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol is sourced from PubChem (CID 136647811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).