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

C21H22ClN3O3 — CID 2150090

IUPAC2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)=NC2(C)C)cc1
InChIInChI=1S/C21H22ClN3O3/c1-4-28-17-11-9-16(10-12-17)23-18(26)13-25-20(27)19(24-21(25,2)3)14-5-7-15(22)8-6-14/h5-12H,4,13H2,1-3H3,(H,23,26)
InChIKeyMOSNHTVIMWJJJL-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.74
Rot. Bonds6

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

2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 2150090) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID2150090
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)=NC2(C)C)cc1
InChIInChI=1S/C21H22ClN3O3/c1-4-28-17-11-9-16(10-12-17)23-18(26)13-25-20(27)19(24-21(25,2)3)14-5-7-15(22)8-6-14/h5-12H,4,13H2,1-3H3,(H,23,26)
InChIKeyMOSNHTVIMWJJJL-UHFFFAOYSA-N
XLogP3.74
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 2138600
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 23603223
N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 53366709
3-[5-(4-chlorophenyl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]pyrrol-2-yl]propanoic acid
CID 3532047
N-(4-ethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 23603208
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
2-(4-chlorophenyl)-N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22783162
N-(4-butylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 53490450
2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 18569144
1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide (CID 2150090) is 2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)=NC2(C)C)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is MOSNHTVIMWJJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-4-28-17-11-9-16(10-12-17)23-18(26)13-25-20(27)19(24-21(25,2)3)14-5-7-15(22)8-6-14/h5-12H,4,13H2,1-3H3,(H,23,26).
What are the key properties of 2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide?
2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 399.88 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 2150090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).