N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C18H18N4O3 — CID 50853662

IUPACN-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccn(C)c2)C1=O
InChIInChI=1S/C18H18N4O3/c1-12-5-3-4-6-14(12)19-16(23)11-22-17(24)15(20-18(22)25)9-13-7-8-21(2)10-13/h3-10H,11H2,1-2H3,(H,19,23)(H,20,25)/b15-9+
InChIKeyGXGPGILMDFABRY-OQLLNIDSSA-N
MW338.37 g/mol
LogP1.86
Rot. Bonds4

About N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 50853662) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID50853662
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccn(C)c2)C1=O
InChIInChI=1S/C18H18N4O3/c1-12-5-3-4-6-14(12)19-16(23)11-22-17(24)15(20-18(22)25)9-13-7-8-21(2)10-13/h3-10H,11H2,1-2H3,(H,19,23)(H,20,25)/b15-9+
InChIKeyGXGPGILMDFABRY-OQLLNIDSSA-N
XLogP1.86
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 16632629
2-[(4Z)-4-[(1,5-dimethylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 50855835
2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 3331969
2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 46499448
2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 50868328
N-(2-methoxyphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17354273
N-[2,5-dimethyl-3-[(Z)-[1-[2-(2-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzamide
CID 126217998
3-methyl-4-[5-[[1-[2-(2-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 3618111
2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 126247998
N-(2-fluorophenyl)-2-[(4E)-4-[(5-methyl-1-propan-2-ylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 50857074
N-(4-methylphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 19256101
2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 50866260

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 50853662) is N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccn(C)c2)C1=O.
What is the InChIKey of N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is GXGPGILMDFABRY-OQLLNIDSSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-5-3-4-6-14(12)19-16(23)11-22-17(24)15(20-18(22)25)9-13-7-8-21(2)10-13/h3-10H,11H2,1-2H3,(H,19,23)(H,20,25)/b15-9+.
What are the key properties of N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 338.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 50853662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).