2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole

C27H24Cl2N2O — CID 67049515

IUPAC2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole
SMILESCCCCOc1ccc(-c2ccc(C=Cc3ncc(-c4ccc(Cl)cc4Cl)[nH]3)cc2)cc1
InChIInChI=1S/C27H24Cl2N2O/c1-2-3-16-32-23-12-9-21(10-13-23)20-7-4-19(5-8-20)6-15-27-30-18-26(31-27)24-14-11-22(28)17-25(24)29/h4-15,17-18H,2-3,16H2,1H3,(H,30,31)
InChIKeyOWTUBXXMIFPAGX-UHFFFAOYSA-N
MW463.41 g/mol
LogP8.40
Rot. Bonds8

About 2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole

2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole (PubChem CID 67049515) has the molecular formula C27H24Cl2N2O and a molecular weight of 463.41 g/mol. Its IUPAC name is 2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole
PubChem CID67049515
Molecular FormulaC27H24Cl2N2O
Molecular Weight463.41 g/mol
Exact Mass462.13
IUPAC Name2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole
SMILESCCCCOc1ccc(-c2ccc(C=Cc3ncc(-c4ccc(Cl)cc4Cl)[nH]3)cc2)cc1
InChIInChI=1S/C27H24Cl2N2O/c1-2-3-16-32-23-12-9-21(10-13-23)20-7-4-19(5-8-20)6-15-27-30-18-26(31-27)24-14-11-22(28)17-25(24)29/h4-15,17-18H,2-3,16H2,1H3,(H,30,31)
InChIKeyOWTUBXXMIFPAGX-UHFFFAOYSA-N
XLogP8.40
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.41
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole
CID 67049073
5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole
CID 67049310
5-(2,4-dichlorophenyl)-2-[2-[4-(3,4-dimethoxyphenyl)phenyl]ethenyl]-1H-imidazole
CID 67050125
4-[4-[2-[4-[2-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]ethenyl]phenyl]ethynyl]phenoxy]butanoic acid
CID 67049177
5-(2,4-dichlorophenyl)-2-[2-[4-(2-methoxyphenyl)phenyl]ethenyl]-1H-imidazole
CID 67049019
4-[2-[2-[4-[4-(3-carboxypropoxy)phenyl]phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]butanoic acid;5-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-1H-imidazole
CID 173215481
5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole
CID 142933571
5-[4-[2-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]ethenyl]phenyl]pent-4-ynoic acid
CID 67049258
4-[2-[2-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]ethenyl]-4-phenylphenoxy]butanoic acid
CID 67049188
4-[4-[4-[(E)-2-[5-[1-(2,4-dichlorophenyl)-2-(ethylamino)-2-oxoethyl]-1H-imidazol-2-yl]ethenyl]phenyl]phenoxy]butanoic acid
CID 67048987
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
CID 58211809

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole?
The IUPAC name of 2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole (CID 67049515) is 2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole.
What is the SMILES notation for 2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole?
The canonical SMILES for 2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole is CCCCOc1ccc(-c2ccc(C=Cc3ncc(-c4ccc(Cl)cc4Cl)[nH]3)cc2)cc1.
What is the InChIKey of 2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole?
The InChIKey is OWTUBXXMIFPAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N2O/c1-2-3-16-32-23-12-9-21(10-13-23)20-7-4-19(5-8-20)6-15-27-30-18-26(31-27)24-14-11-22(28)17-25(24)29/h4-15,17-18H,2-3,16H2,1H3,(H,30,31).
What are the key properties of 2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole?
2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole has a molecular weight of 463.41 g/mol, XLogP of 8.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-butoxyphenyl)phenyl]ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole is sourced from PubChem (CID 67049515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).