2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide

C18H16N4O5 — CID 5134575

IUPAC2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C18H16N4O5/c1-18(12-5-3-2-4-6-12)16(24)21(17(25)20-18)11-15(23)19-13-7-9-14(10-8-13)22(26)27/h2-10H,11H2,1H3,(H,19,23)(H,20,25)
InChIKeyUOFWWMCMXJBXBA-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.00
Rot. Bonds5

About 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide

2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide (PubChem CID 5134575) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide
PubChem CID5134575
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C18H16N4O5/c1-18(12-5-3-2-4-6-12)16(24)21(17(25)20-18)11-15(23)19-13-7-9-14(10-8-13)22(26)27/h2-10H,11H2,1H3,(H,19,23)(H,20,25)
InChIKeyUOFWWMCMXJBXBA-UHFFFAOYSA-N
XLogP2.00
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', '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

5-Methyl-5-(4-nitro-phenyl)-imidazolidine-2,4-dione
CID 3119445
Ro 28-2653
CID 9832179
3-(2-(Dimethylamino)ethyl)-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 3095535
(5S)-5-Methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione
CID 139596203
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2584000
3-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 3606093
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide
CID 3976162
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide
CID 4555282
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide
CID 4785769
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 4964169
2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 18074157
(5S)-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 121437588

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide (CID 5134575) is 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide is CC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide?
The InChIKey is UOFWWMCMXJBXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-18(12-5-3-2-4-6-12)16(24)21(17(25)20-18)11-15(23)19-13-7-9-14(10-8-13)22(26)27/h2-10H,11H2,1H3,(H,19,23)(H,20,25).
What are the key properties of 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide?
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide has a molecular weight of 368.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 5134575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).