N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide

C21H22ClN3O3 — CID 53366709

IUPACN-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
SMILESCOc1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc(C)cc3Cl)C2=O)cc1
InChIInChI=1S/C21H22ClN3O3/c1-13-5-10-17(16(22)11-13)23-18(26)12-25-20(27)19(24-21(25,2)3)14-6-8-15(28-4)9-7-14/h5-11H,12H2,1-4H3,(H,23,26)
InChIKeyYXDSAURUGCIBIY-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.66
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide

N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide (PubChem CID 53366709) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
PubChem CID53366709
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
SMILESCOc1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc(C)cc3Cl)C2=O)cc1
InChIInChI=1S/C21H22ClN3O3/c1-13-5-10-17(16(22)11-13)23-18(26)12-25-20(27)19(24-21(25,2)3)14-6-8-15(28-4)9-7-14/h5-11H,12H2,1-4H3,(H,23,26)
InChIKeyYXDSAURUGCIBIY-UHFFFAOYSA-N
XLogP3.66
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 53490491
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 23603223
N-(3,5-dimethoxyphenyl)-2-(2,2-dimethyl-5-oxo-4-phenylimidazol-1-yl)acetamide
CID 2141008
2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 2150090
N-(2-chloro-4-methylphenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 51363572
N-(2-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 20960302
2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 2150236
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide
CID 24746340
2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 2138600
N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110777932
N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide
CID 90069141
N-(3,4-difluorophenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 23603236

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide (CID 53366709) is N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide is COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc(C)cc3Cl)C2=O)cc1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
The InChIKey is YXDSAURUGCIBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-13-5-10-17(16(22)11-13)23-18(26)12-25-20(27)19(24-21(25,2)3)14-6-8-15(28-4)9-7-14/h5-11H,12H2,1-4H3,(H,23,26).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide has a molecular weight of 399.88 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide is sourced from PubChem (CID 53366709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).