2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C21H22ClN3O4 — CID 55356659

IUPAC2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H22ClN3O4/c1-21(15-8-10-16(22)11-9-15)19(27)25(20(28)23-21)13-18(26)24(2)12-14-6-4-5-7-17(14)29-3/h4-11H,12-13H2,1-3H3,(H,23,28)
InChIKeyQEFBEYMEYOBELJ-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.77
Rot. Bonds6

About 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 55356659) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID55356659
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H22ClN3O4/c1-21(15-8-10-16(22)11-9-15)19(27)25(20(28)23-21)13-18(26)24(2)12-14-6-4-5-7-17(14)29-3/h4-11H,12-13H2,1-3H3,(H,23,28)
InChIKeyQEFBEYMEYOBELJ-UHFFFAOYSA-N
XLogP2.77
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55685063
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7809240
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 2097186
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-phenylacetamide
CID 2705880
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 7596071
N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 166347628
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 24547671
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 97090077
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 55329891
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 46606442
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92786204
N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 24523481

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 55356659) is 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccccc1CN(C)C(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is QEFBEYMEYOBELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-21(15-8-10-16(22)11-9-15)19(27)25(20(28)23-21)13-18(26)24(2)12-14-6-4-5-7-17(14)29-3/h4-11H,12-13H2,1-3H3,(H,23,28).
What are the key properties of 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 415.88 g/mol, XLogP of 2.77, 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)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55356659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).