2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide

C24H26N4O3 — CID 46499448

IUPAC2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(N3CCCCC3)cc2)C1=O
InChIInChI=1S/C24H26N4O3/c1-17-7-3-4-8-20(17)25-22(29)16-28-23(30)21(26-24(28)31)15-18-9-11-19(12-10-18)27-13-5-2-6-14-27/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,25,29)(H,26,31)/b21-15-
InChIKeyPOAAWRHAHUOPDV-QNGOZBTKSA-N
MW418.50 g/mol
LogP3.52
Rot. Bonds5

About 2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide

2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 46499448) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID46499448
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(N3CCCCC3)cc2)C1=O
InChIInChI=1S/C24H26N4O3/c1-17-7-3-4-8-20(17)25-22(29)16-28-23(30)21(26-24(28)31)15-18-9-11-19(12-10-18)27-13-5-2-6-14-27/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,25,29)(H,26,31)/b21-15-
InChIKeyPOAAWRHAHUOPDV-QNGOZBTKSA-N
XLogP3.52
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 3331969
2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide
CID 4585152
2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 126247998
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 16632629
N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide
CID 4009588
N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 50853662
2-[(4Z)-4-[(1,5-dimethylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 50855835
N-(3-methylphenyl)-2-[(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7943296
N-(3-methylphenyl)-2-[4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3372624
N-(4-chlorophenyl)-2-[(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 6382274
2-[(5E)-2,4-dioxo-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
CID 5455746
2-[(5Z)-2,4-dioxo-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(2-methoxyphenyl)acetamide
CID 126214789

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide (CID 46499448) is 2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(N3CCCCC3)cc2)C1=O.
What is the InChIKey of 2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is POAAWRHAHUOPDV-QNGOZBTKSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17-7-3-4-8-20(17)25-22(29)16-28-23(30)21(26-24(28)31)15-18-9-11-19(12-10-18)27-13-5-2-6-14-27/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,25,29)(H,26,31)/b21-15-.
What are the key properties of 2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide?
2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 46499448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).