1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole

C31H24Cl2N2O — CID 67049290

IUPAC1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
SMILESCOc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccccc3)cc2)cc1
InChIInChI=1S/C31H24Cl2N2O/c1-36-27-15-12-25(13-16-27)24-10-7-22(8-11-24)9-18-31-34-30(28-17-14-26(32)19-29(28)33)21-35(31)20-23-5-3-2-4-6-23/h2-19,21H,20H2,1H3
InChIKeyCDZQTYSGXIKTPB-UHFFFAOYSA-N
MW511.45 g/mol
LogP8.75
Rot. Bonds7

About 1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole

1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole (PubChem CID 67049290) has the molecular formula C31H24Cl2N2O and a molecular weight of 511.45 g/mol. Its IUPAC name is 1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
PubChem CID67049290
Molecular FormulaC31H24Cl2N2O
Molecular Weight511.45 g/mol
Exact Mass510.13
IUPAC Name1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
SMILESCOc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccccc3)cc2)cc1
InChIInChI=1S/C31H24Cl2N2O/c1-36-27-15-12-25(13-16-27)24-10-7-22(8-11-24)9-18-31-34-30(28-17-14-26(32)19-29(28)33)21-35(31)20-23-5-3-2-4-6-23/h2-19,21H,20H2,1H3
InChIKeyCDZQTYSGXIKTPB-UHFFFAOYSA-N
XLogP8.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.45
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole?
The IUPAC name of 1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole (CID 67049290) is 1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole.
What is the SMILES notation for 1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole?
The canonical SMILES for 1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole is COc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccccc3)cc2)cc1.
What is the InChIKey of 1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole?
The InChIKey is CDZQTYSGXIKTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24Cl2N2O/c1-36-27-15-12-25(13-16-27)24-10-7-22(8-11-24)9-18-31-34-30(28-17-14-26(32)19-29(28)33)21-35(31)20-23-5-3-2-4-6-23/h2-19,21H,20H2,1H3.
What are the key properties of 1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole?
1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole has a molecular weight of 511.45 g/mol, XLogP of 8.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole is sourced from PubChem (CID 67049290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).