2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide

C23H26ClN3O2 — CID 2138600

IUPAC2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide
SMILESCC(C)(C)c1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C23H26ClN3O2/c1-22(2,3)16-8-6-15(7-9-16)20-21(29)27(23(4,5)26-20)14-19(28)25-18-12-10-17(24)11-13-18/h6-13H,14H2,1-5H3,(H,25,28)
InChIKeyXPFWDAXNXOFCAW-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.64
Rot. Bonds4

About 2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide

2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 2138600) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide
PubChem CID2138600
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide
SMILESCC(C)(C)c1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C23H26ClN3O2/c1-22(2,3)16-8-6-15(7-9-16)20-21(29)27(23(4,5)26-20)14-19(28)25-18-12-10-17(24)11-13-18/h6-13H,14H2,1-5H3,(H,25,28)
InChIKeyXPFWDAXNXOFCAW-UHFFFAOYSA-N
XLogP4.64
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 2150236
2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 2150090
N-(3,4-difluorophenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 23603236
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 23603223
N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 53490490
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 53490484
N-(3,5-dimethoxyphenyl)-2-(2,2-dimethyl-5-oxo-4-phenylimidazol-1-yl)acetamide
CID 2141008
N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 53490509
N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 53366709
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790
2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-(3-cyano-4-fluorophenyl)acetamide
CID 24746654

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide (CID 2138600) is 2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide is CC(C)(C)c1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is XPFWDAXNXOFCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-22(2,3)16-8-6-15(7-9-16)20-21(29)27(23(4,5)26-20)14-19(28)25-18-12-10-17(24)11-13-18/h6-13H,14H2,1-5H3,(H,25,28).
What are the key properties of 2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide?
2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 411.93 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 2138600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).