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

C26H29Cl2N3O2 — CID 91033097

IUPAC2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide
SMILESCOc1ccc(C=Cc2nc(-c3ccc(Cl)cc3Cl)cn2CC(=O)NCCC(C)(C)C)cc1
InChIInChI=1S/C26H29Cl2N3O2/c1-26(2,3)13-14-29-25(32)17-31-16-23(21-11-8-19(27)15-22(21)28)30-24(31)12-7-18-5-9-20(33-4)10-6-18/h5-12,15-16H,13-14,17H2,1-4H3,(H,29,32)
InChIKeyNXVOSQOBYBYQSH-UHFFFAOYSA-N
MW486.44 g/mol
LogP6.59
Rot. Bonds8

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

2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide (PubChem CID 91033097) has the molecular formula C26H29Cl2N3O2 and a molecular weight of 486.44 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide
PubChem CID91033097
Molecular FormulaC26H29Cl2N3O2
Molecular Weight486.44 g/mol
Exact Mass485.16
IUPAC Name2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide
SMILESCOc1ccc(C=Cc2nc(-c3ccc(Cl)cc3Cl)cn2CC(=O)NCCC(C)(C)C)cc1
InChIInChI=1S/C26H29Cl2N3O2/c1-26(2,3)13-14-29-25(32)17-31-16-23(21-11-8-19(27)15-22(21)28)30-24(31)12-7-18-5-9-20(33-4)10-6-18/h5-12,15-16H,13-14,17H2,1-4H3,(H,29,32)
InChIKeyNXVOSQOBYBYQSH-UHFFFAOYSA-N
XLogP6.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.44
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 67049023
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-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-[2-(4-naphthalen-1-ylpentylamino)-2-oxoethyl]imidazol-2-yl]ethenyl]phenoxy]acetic acid
CID 142933644
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-benzyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
CID 67049290
1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
CID 58211809
4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoic acid
CID 67117899
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
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
methyl 4-[[4-(2,4-dichlorophenyl)-2-[2-[4-[4-(4,4,4-trifluorobutoxy)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]benzoate
CID 67049193
methyl 4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]-2-(trifluoromethyl)benzoate
CID 58211823

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide?
The IUPAC name of 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide (CID 91033097) is 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide.
What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide?
The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide is COc1ccc(C=Cc2nc(-c3ccc(Cl)cc3Cl)cn2CC(=O)NCCC(C)(C)C)cc1.
What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide?
The InChIKey is NXVOSQOBYBYQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl2N3O2/c1-26(2,3)13-14-29-25(32)17-31-16-23(21-11-8-19(27)15-22(21)28)30-24(31)12-7-18-5-9-20(33-4)10-6-18/h5-12,15-16H,13-14,17H2,1-4H3,(H,29,32).
What are the key properties of 2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide?
2-[4-(2,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide has a molecular weight of 486.44 g/mol, XLogP of 6.59, 8 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-[2-(4-methoxyphenyl)ethenyl]imidazol-1-yl]-N-(3,3-dimethylbutyl)acetamide is sourced from PubChem (CID 91033097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).