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

C26H26N4O4 — CID 45354054

IUPAC2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)/N=c3/ccccn3Cc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C26H26N4O4/c1-18-7-9-19(10-8-18)16-29-15-5-4-6-22(29)27-23(31)17-30-24(32)26(2,28-25(30)33)20-11-13-21(34-3)14-12-20/h4-15H,16-17H2,1-3H3,(H,28,33)/b27-22-
InChIKeyXEEJCKSXMUALFE-QYQHSDTDSA-N
MW458.52 g/mol
LogP2.75
Rot. Bonds6

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

2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]acetamide (PubChem CID 45354054) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]acetamide
PubChem CID45354054
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)/N=c3/ccccn3Cc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C26H26N4O4/c1-18-7-9-19(10-8-18)16-29-15-5-4-6-22(29)27-23(31)17-30-24(32)26(2,28-25(30)33)20-11-13-21(34-3)14-12-20/h4-15H,16-17H2,1-3H3,(H,28,33)/b27-22-
InChIKeyXEEJCKSXMUALFE-QYQHSDTDSA-N
XLogP2.75
TPSA93.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55386735
2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 25403788
N-[2-(4-methoxyanilino)phenyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40942598
N-(2,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16547541
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
N-(2-iodophenyl)-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40857099
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16545006
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678
N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(naphthalen-2-ylmethyl)acetamide
CID 46663971
(4-methylphenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708264
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]acetamide (CID 45354054) is 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]acetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)/N=c3/ccccn3Cc3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]acetamide?
The InChIKey is XEEJCKSXMUALFE-QYQHSDTDSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-18-7-9-19(10-8-18)16-29-15-5-4-6-22(29)27-23(31)17-30-24(32)26(2,28-25(30)33)20-11-13-21(34-3)14-12-20/h4-15H,16-17H2,1-3H3,(H,28,33)/b27-22-.
What are the key properties of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]acetamide?
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]acetamide has a molecular weight of 458.52 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]acetamide is sourced from PubChem (CID 45354054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).