2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide

C40H35Cl2N3O2 — CID 142933467

IUPAC2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide
SMILESCOc1ccc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)cn3CC(=O)NCCC(C)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C40H35Cl2N3O2/c1-27(34-9-5-7-31-6-3-4-8-35(31)34)22-23-43-40(46)26-45-25-38(36-20-17-32(41)24-37(36)42)44-39(45)21-12-28-10-13-29(14-11-28)30-15-18-33(47-2)19-16-30/h3-21,24-25,27H,22-23,26H2,1-2H3,(H,43,46)/b21-12+
InChIKeyILCQPEPQEDHKSU-CIAFOILYSA-N
MW660.65 g/mol
LogP10.17
Rot. Bonds11

About 2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide

2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide (PubChem CID 142933467) has the molecular formula C40H35Cl2N3O2 and a molecular weight of 660.65 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide
PubChem CID142933467
Molecular FormulaC40H35Cl2N3O2
Molecular Weight660.65 g/mol
Exact Mass659.21
IUPAC Name2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide
SMILESCOc1ccc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)cn3CC(=O)NCCC(C)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C40H35Cl2N3O2/c1-27(34-9-5-7-31-6-3-4-8-35(31)34)22-23-43-40(46)26-45-25-38(36-20-17-32(41)24-37(36)42)44-39(45)21-12-28-10-13-29(14-11-28)30-15-18-33(47-2)19-16-30/h3-21,24-25,27H,22-23,26H2,1-2H3,(H,43,46)/b21-12+
InChIKeyILCQPEPQEDHKSU-CIAFOILYSA-N
XLogP10.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.65
LogP ≤ 510.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-[2-(4-naphthalen-1-ylpentylamino)-2-oxoethyl]imidazol-2-yl]ethenyl]phenoxy]acetic acid
CID 142933644
2-[4-(2,4-dichlorophenyl)-2-[2-[4-(4-hydroxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
CID 136658753
2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 67049153
2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide
CID 91033097
4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]imidazol-2-yl]ethenyl]phenoxy]butanoic acid
CID 58211783
2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 67049023
1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
CID 67049290
methyl 4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]imidazol-2-yl]ethenyl]phenyl]phenoxy]butanoate
CID 58211785
1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
CID 58211809
4-[4-[4-[2-[4-(2,4-dichlorophenyl)-1-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]imidazol-2-yl]ethenyl]phenyl]phenoxy]butanoic acid
CID 67049305
methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate
CID 67049826
methyl 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoate
CID 67049558

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide?
The IUPAC name of 2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide (CID 142933467) is 2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide.
What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide?
The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide is COc1ccc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)cn3CC(=O)NCCC(C)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide?
The InChIKey is ILCQPEPQEDHKSU-CIAFOILYSA-N. The full InChI is InChI=1S/C40H35Cl2N3O2/c1-27(34-9-5-7-31-6-3-4-8-35(31)34)22-23-43-40(46)26-45-25-38(36-20-17-32(41)24-37(36)42)44-39(45)21-12-28-10-13-29(14-11-28)30-15-18-33(47-2)19-16-30/h3-21,24-25,27H,22-23,26H2,1-2H3,(H,43,46)/b21-12+.
What are the key properties of 2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide?
2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide has a molecular weight of 660.65 g/mol, XLogP of 10.17, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide is sourced from PubChem (CID 142933467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).