methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate

C34H26Cl2N2O4 — CID 67049826

IUPACmethyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate
SMILESCOC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(C(=O)OC)c3)cc2)cc1
InChIInChI=1S/C34H26Cl2N2O4/c1-41-33(39)25-13-8-23(9-14-25)20-38-21-31(29-16-15-28(35)19-30(29)36)37-32(38)17-10-22-6-11-24(12-7-22)26-4-3-5-27(18-26)34(40)42-2/h3-19,21H,20H2,1-2H3
InChIKeyHMUKGHJJVPAMQT-UHFFFAOYSA-N
MW597.50 g/mol
LogP8.32
Rot. Bonds8

About methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate

methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate (PubChem CID 67049826) has the molecular formula C34H26Cl2N2O4 and a molecular weight of 597.50 g/mol. Its IUPAC name is methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate
PubChem CID67049826
Molecular FormulaC34H26Cl2N2O4
Molecular Weight597.50 g/mol
Exact Mass596.13
IUPAC Namemethyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate
SMILESCOC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(C(=O)OC)c3)cc2)cc1
InChIInChI=1S/C34H26Cl2N2O4/c1-41-33(39)25-13-8-23(9-14-25)20-38-21-31(29-16-15-28(35)19-30(29)36)37-32(38)17-10-22-6-11-24(12-7-22)26-4-3-5-27(18-26)34(40)42-2/h3-19,21H,20H2,1-2H3
InChIKeyHMUKGHJJVPAMQT-UHFFFAOYSA-N
XLogP8.32
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.50
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate with MolForge

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Related Compounds

methyl 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoate
CID 67049558
methyl 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[4-(4,4,4-trifluorobutoxy)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoate
CID 67049193
4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(3-methylsulfanylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
CID 142933599
4-[[2-[(E)-2-[4-(4-tert-butylphenyl)phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 58231191
4-[[2-[2-[4-(3-amino-4-methoxyphenyl)phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 67118006
methyl 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[[3-(trifluoromethyl)phenyl]sulfinylamino]phenyl]ethenyl]imidazol-1-yl]methyl]benzoate
CID 142933539
1-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
CID 67049290
4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[4-(ethoxycarbonylamino)-3-methoxyphenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
CID 67118367
methyl 4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]ethenyl]imidazol-1-yl]methyl]benzoate
CID 58231190
3-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
CID 58231348
3-[[4-(2,4-dichlorophenyl)-2-[2-[4-[3-methoxy-4-(propan-2-yloxycarbonylamino)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
CID 67118086
4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[4-[4-(methanesulfonamido)phenoxy]phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
CID 67049255

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate?
The IUPAC name of methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate (CID 67049826) is methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate.
What is the SMILES notation for methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate?
The canonical SMILES for methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate is COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(C(=O)OC)c3)cc2)cc1.
What is the InChIKey of methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate?
The InChIKey is HMUKGHJJVPAMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26Cl2N2O4/c1-41-33(39)25-13-8-23(9-14-25)20-38-21-31(29-16-15-28(35)19-30(29)36)37-32(38)17-10-22-6-11-24(12-7-22)26-4-3-5-27(18-26)34(40)42-2/h3-19,21H,20H2,1-2H3.
What are the key properties of methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate?
methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate has a molecular weight of 597.50 g/mol, XLogP of 8.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate is sourced from PubChem (CID 67049826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).