N-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C20H16N4O7 — CID 126024896

IUPACN-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1
InChIInChI=1S/C20H16N4O7/c1-11-2-4-13(5-3-11)21-18(25)9-23-19(26)14(22-20(23)27)6-12-7-16-17(31-10-30-16)8-15(12)24(28)29/h2-8H,9-10H2,1H3,(H,21,25)(H,22,27)/b14-6-
InChIKeyKUDYBPINGWARPR-NSIKDUERSA-N
MW424.37 g/mol
LogP2.16
Rot. Bonds5

About N-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 126024896) has the molecular formula C20H16N4O7 and a molecular weight of 424.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID126024896
Molecular FormulaC20H16N4O7
Molecular Weight424.37 g/mol
Exact Mass424.10
IUPAC NameN-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1
InChIInChI=1S/C20H16N4O7/c1-11-2-4-13(5-3-11)21-18(25)9-23-19(26)14(22-20(23)27)6-12-7-16-17(31-10-30-16)8-15(12)24(28)29/h2-8H,9-10H2,1H3,(H,21,25)(H,22,27)/b14-6-
InChIKeyKUDYBPINGWARPR-NSIKDUERSA-N
XLogP2.16
TPSA140.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126358769
N-(4-methylphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 19256101
(5E)-3-ethyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19545307
2-[4-[(5-chloro-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 4587173
2-[(4E)-4-[(2-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126030684
N-(3-chloro-4-methoxyphenyl)-2-[(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126361344
2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126254362
N-(4-methylphenyl)-2-[4-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3787227
2-[(4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16797924
2-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126029584
2-[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16632905
N-(4-chlorophenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632724

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 126024896) is N-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is KUDYBPINGWARPR-NSIKDUERSA-N. The full InChI is InChI=1S/C20H16N4O7/c1-11-2-4-13(5-3-11)21-18(25)9-23-19(26)14(22-20(23)27)6-12-7-16-17(31-10-30-16)8-15(12)24(28)29/h2-8H,9-10H2,1H3,(H,21,25)(H,22,27)/b14-6-.
What are the key properties of N-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 424.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(4Z)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 126024896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).