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

C20H20ClN3O3 — CID 4810113

IUPACN-benzyl-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H20ClN3O3/c1-20(15-8-10-16(21)11-9-15)18(26)24(19(27)22-20)13-17(25)23(2)12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,22,27)
InChIKeyOBYJCFCZCURZPH-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.77
Rot. Bonds5

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

N-benzyl-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 4810113) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-benzyl-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
PubChem CID4810113
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-benzyl-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H20ClN3O3/c1-20(15-8-10-16(21)11-9-15)18(26)24(19(27)22-20)13-17(25)23(2)12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,22,27)
InChIKeyOBYJCFCZCURZPH-UHFFFAOYSA-N
XLogP2.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mephenytoin
CID 4060
Mephenytoin, (+)-
CID 107921
D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
CID 25011732
2,4-Imidazolidinedione, 5-(p-chlorophenyl)-
CID 97124
2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
2,4-Imidazolidinedione, 5,5-diphenyl-3-(3-(1-piperidinyl)propyl)-
CID 3041343
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
3-Methyl-5,5-diphenylimidazolidine-2,4-dione
CID 77899
m-Chlorobenzylamide, 2
CID 44237081
Mephenytoin, (-)-
CID 119127
5-(3,4-Dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 3009655
5-(4-Chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 134587

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 4810113) is N-benzyl-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-benzyl-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The InChIKey is OBYJCFCZCURZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-20(15-8-10-16(21)11-9-15)18(26)24(19(27)22-20)13-17(25)23(2)12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,22,27).
What are the key properties of N-benzyl-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
N-benzyl-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 385.85 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 4810113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).