2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C30H29Cl2N3O4 — CID 67049023

IUPAC2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C=Cc2nc(-c3ccc(Cl)cc3Cl)cn2CC(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C30H29Cl2N3O4/c1-37-23-9-4-20(5-10-23)7-13-29-34-26(24-11-8-22(31)17-25(24)32)18-35(29)19-30(36)33-15-14-21-6-12-27(38-2)28(16-21)39-3/h4-13,16-18H,14-15,19H2,1-3H3,(H,33,36)
InChIKeyLSHPSPBMKWXXSM-UHFFFAOYSA-N
MW566.49 g/mol
LogP6.41
Rot. Bonds11

About 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 67049023) has the molecular formula C30H29Cl2N3O4 and a molecular weight of 566.49 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID67049023
Molecular FormulaC30H29Cl2N3O4
Molecular Weight566.49 g/mol
Exact Mass565.15
IUPAC Name2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C=Cc2nc(-c3ccc(Cl)cc3Cl)cn2CC(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C30H29Cl2N3O4/c1-37-23-9-4-20(5-10-23)7-13-29-34-26(24-11-8-22(31)17-25(24)32)18-35(29)19-30(36)33-15-14-21-6-12-27(38-2)28(16-21)39-3/h4-13,16-18H,14-15,19H2,1-3H3,(H,33,36)
InChIKeyLSHPSPBMKWXXSM-UHFFFAOYSA-N
XLogP6.41
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.49
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide
CID 91033097
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-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazol-1-yl]-N-(3-naphthalen-1-ylbutyl)acetamide
CID 142933467
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
CID 58211809
4-[[2-[2-[4-(3-amino-4-methoxyphenyl)phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 67118006
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614932
2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30833258
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2587547
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
methyl 3-[4-[2-[4-(2,4-dichlorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]imidazol-2-yl]ethenyl]phenyl]benzoate
CID 67049826
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide
CID 166272884

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 67049023) is 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(C=Cc2nc(-c3ccc(Cl)cc3Cl)cn2CC(=O)NCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is LSHPSPBMKWXXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl2N3O4/c1-37-23-9-4-20(5-10-23)7-13-29-34-26(24-11-8-22(31)17-25(24)32)18-35(29)19-30(36)33-15-14-21-6-12-27(38-2)28(16-21)39-3/h4-13,16-18H,14-15,19H2,1-3H3,(H,33,36).
What are the key properties of 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 566.49 g/mol, XLogP of 6.41, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 67049023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).