N-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C23H23N5O3 — CID 55359743

IUPACN-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccnn3Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C23H23N5O3/c1-16-8-10-18(11-9-16)23(2)21(30)27(22(31)26-23)15-20(29)25-19-12-13-24-28(19)14-17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyBGOQUHQUEBNYQY-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.65
Rot. Bonds6

About N-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 55359743) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID55359743
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccnn3Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C23H23N5O3/c1-16-8-10-18(11-9-16)23(2)21(30)27(22(31)26-23)15-20(29)25-19-12-13-24-28(19)14-17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyBGOQUHQUEBNYQY-UHFFFAOYSA-N
XLogP2.65
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 55844225
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 55840386
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-2-pyridinyl)acetamide
CID 43016717
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
N-(3,5-dichlorophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7178689
N-(2-methoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582081
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2429663
(2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7711003
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18292290
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 86894064

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 55359743) is N-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccnn3Cc3ccccc3)C2=O)cc1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is BGOQUHQUEBNYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-16-8-10-18(11-9-16)23(2)21(30)27(22(31)26-23)15-20(29)25-19-12-13-24-28(19)14-17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3,(H,25,29)(H,26,31).
What are the key properties of N-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 55359743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).