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

C24H22N4O4 — CID 126244413

IUPACN-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C)cc2)C1=O
InChIInChI=1S/C24H22N4O4/c1-16-9-11-17(12-10-16)27-13-5-6-18(27)14-20-23(30)28(24(31)26-20)15-22(29)25-19-7-3-4-8-21(19)32-2/h3-14H,15H2,1-2H3,(H,25,29)(H,26,31)/b20-14+
InChIKeyCWIOCCQRHALWGR-XSFVSMFZSA-N
MW430.46 g/mol
LogP3.33
Rot. Bonds6

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

N-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 126244413) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID126244413
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC NameN-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C)cc2)C1=O
InChIInChI=1S/C24H22N4O4/c1-16-9-11-17(12-10-16)27-13-5-6-18(27)14-20-23(30)28(24(31)26-20)15-22(29)25-19-7-3-4-8-21(19)32-2/h3-14H,15H2,1-2H3,(H,25,29)(H,26,31)/b20-14+
InChIKeyCWIOCCQRHALWGR-XSFVSMFZSA-N
XLogP3.33
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46499443
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4654642
2-[(4E)-2,5-dioxo-4-[(2,4,6-trimethylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126238859
N-(2-methoxyphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17354273
2-[(4E)-4-[[3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126241686
2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126240800
2-[(4E)-4-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126232036
2-[(4E)-4-[[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126240189
2-[(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126244729
2-[(4E)-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126257287
4-[2-[(E)-[1-[2-(3-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid
CID 6525850
2-[(4E)-4-[[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126239828

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 126244413) is N-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C)cc2)C1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is CWIOCCQRHALWGR-XSFVSMFZSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-16-9-11-17(12-10-16)27-13-5-6-18(27)14-20-23(30)28(24(31)26-20)15-22(29)25-19-7-3-4-8-21(19)32-2/h3-14H,15H2,1-2H3,(H,25,29)(H,26,31)/b20-14+.
What are the key properties of N-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 430.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 126244413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).