5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole

C24H18Cl2N2O — CID 67049310

IUPAC5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole
SMILESCOc1cccc(-c2ccc(C=Cc3ncc(-c4ccc(Cl)cc4Cl)[nH]3)cc2)c1
InChIInChI=1S/C24H18Cl2N2O/c1-29-20-4-2-3-18(13-20)17-8-5-16(6-9-17)7-12-24-27-15-23(28-24)21-11-10-19(25)14-22(21)26/h2-15H,1H3,(H,27,28)
InChIKeyNKWQLXQAYDSIND-UHFFFAOYSA-N
MW421.33 g/mol
LogP7.23
Rot. Bonds5

About 5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole

5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole (PubChem CID 67049310) has the molecular formula C24H18Cl2N2O and a molecular weight of 421.33 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole
PubChem CID67049310
Molecular FormulaC24H18Cl2N2O
Molecular Weight421.33 g/mol
Exact Mass420.08
IUPAC Name5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole
SMILESCOc1cccc(-c2ccc(C=Cc3ncc(-c4ccc(Cl)cc4Cl)[nH]3)cc2)c1
InChIInChI=1S/C24H18Cl2N2O/c1-29-20-4-2-3-18(13-20)17-8-5-16(6-9-17)7-12-24-27-15-23(28-24)21-11-10-19(25)14-22(21)26/h2-15H,1H3,(H,27,28)
InChIKeyNKWQLXQAYDSIND-UHFFFAOYSA-N
XLogP7.23
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.33
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole?
The IUPAC name of 5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole (CID 67049310) is 5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole is COc1cccc(-c2ccc(C=Cc3ncc(-c4ccc(Cl)cc4Cl)[nH]3)cc2)c1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole?
The InChIKey is NKWQLXQAYDSIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O/c1-29-20-4-2-3-18(13-20)17-8-5-16(6-9-17)7-12-24-27-15-23(28-24)21-11-10-19(25)14-22(21)26/h2-15H,1H3,(H,27,28).
What are the key properties of 5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole?
5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole has a molecular weight of 421.33 g/mol, XLogP of 7.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-2-[2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole is sourced from PubChem (CID 67049310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).