4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole

C24H17Cl2N3O2 — CID 141121321

IUPAC4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole
SMILESO=[N+]([O-])c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccccc2)cc1
InChIInChI=1S/C24H17Cl2N3O2/c25-19-9-12-21(22(26)14-19)23-16-28(15-18-6-10-20(11-7-18)29(30)31)24(27-23)13-8-17-4-2-1-3-5-17/h1-14,16H,15H2/b13-8+
InChIKeyIATCXXQXHOFTOB-MDWZMJQESA-N
MW450.33 g/mol
LogP6.98
Rot. Bonds6

About 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole

4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole (PubChem CID 141121321) has the molecular formula C24H17Cl2N3O2 and a molecular weight of 450.33 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole
PubChem CID141121321
Molecular FormulaC24H17Cl2N3O2
Molecular Weight450.33 g/mol
Exact Mass449.07
IUPAC Name4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole
SMILESO=[N+]([O-])c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccccc2)cc1
InChIInChI=1S/C24H17Cl2N3O2/c25-19-9-12-21(22(26)14-19)23-16-28(15-18-6-10-20(11-7-18)29(30)31)24(27-23)13-8-17-4-2-1-3-5-17/h1-14,16H,15H2/b13-8+
InChIKeyIATCXXQXHOFTOB-MDWZMJQESA-N
XLogP6.98
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

4-[2-[4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethenyl]phenol
CID 136647811
1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
CID 67049290
4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole
CID 67049428
4-[[2-[(E)-2-(4-bromophenyl)ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]aniline
CID 67118194
4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-2-(3-phenylphenyl)ethenyl]imidazole
CID 141094164
4-[[2-[(E)-2-[4-(4-tert-butylphenyl)phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 58231191
4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(3-methylsulfanylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
CID 142933599
4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole
CID 58231257
methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate
CID 67049826
4-[[2-[2-[4-(3-amino-4-methoxyphenyl)phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 67118006
methyl 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoate
CID 67049558
CID 143094918
CID 143094918

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole?
The IUPAC name of 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole (CID 141121321) is 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole is O=[N+]([O-])c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole?
The InChIKey is IATCXXQXHOFTOB-MDWZMJQESA-N. The full InChI is InChI=1S/C24H17Cl2N3O2/c25-19-9-12-21(22(26)14-19)23-16-28(15-18-6-10-20(11-7-18)29(30)31)24(27-23)13-8-17-4-2-1-3-5-17/h1-14,16H,15H2/b13-8+.
What are the key properties of 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole?
4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole has a molecular weight of 450.33 g/mol, XLogP of 6.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole is sourced from PubChem (CID 141121321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).