4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole

C26H22Cl2N2 — CID 141094170

IUPAC4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole
SMILESCCn1cc(-c2ccc(Cl)cc2Cl)nc1/C(C)=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H22Cl2N2/c1-3-30-17-25(23-14-13-22(27)16-24(23)28)29-26(30)18(2)15-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-17H,3H2,1-2H3/b18-15+
InChIKeyVSPVSCPXNYEDFM-OBGWFSINSA-N
MW433.38 g/mol
LogP8.10
Rot. Bonds5

About 4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole

4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole (PubChem CID 141094170) has the molecular formula C26H22Cl2N2 and a molecular weight of 433.38 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole
PubChem CID141094170
Molecular FormulaC26H22Cl2N2
Molecular Weight433.38 g/mol
Exact Mass432.12
IUPAC Name4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole
SMILESCCn1cc(-c2ccc(Cl)cc2Cl)nc1/C(C)=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H22Cl2N2/c1-3-30-17-25(23-14-13-22(27)16-24(23)28)29-26(30)18(2)15-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-17H,3H2,1-2H3/b18-15+
InChIKeyVSPVSCPXNYEDFM-OBGWFSINSA-N
XLogP8.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-2-(3-phenylphenyl)ethenyl]imidazole
CID 141094164
1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
CID 67049290
1-[4-(4-chlorophenyl)-1-ethylimidazol-2-yl]ethanone
CID 141478336
5-[4-[4-[2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]furan-2-carboxylic acid
CID 67049098
4-[[2-[(E)-2-[4-(4-tert-butylphenyl)phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 58231191
4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]-2-(trifluoromethyl)benzoic acid
CID 58212033
1-benzyl-4-(2,4-dichlorophenyl)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole
CID 141094182
N-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 58231409
1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
CID 58211809
4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(3-methylsulfanylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
CID 142933599
4-[[4-[4-[2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]-2-fluorophenoxy]methyl]benzoic acid
CID 67048938
4-(2-chloro-4-methylphenyl)-1-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-2-[(E)-pent-2-en-2-yl]imidazole
CID 143094788

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole?
The IUPAC name of 4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole (CID 141094170) is 4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole is CCn1cc(-c2ccc(Cl)cc2Cl)nc1/C(C)=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole?
The InChIKey is VSPVSCPXNYEDFM-OBGWFSINSA-N. The full InChI is InChI=1S/C26H22Cl2N2/c1-3-30-17-25(23-14-13-22(27)16-24(23)28)29-26(30)18(2)15-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-17H,3H2,1-2H3/b18-15+.
What are the key properties of 4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole?
4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole has a molecular weight of 433.38 g/mol, XLogP of 8.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1-ethyl-2-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]imidazole is sourced from PubChem (CID 141094170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).