2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide

C20H22N4O3 — CID 46814221

IUPAC2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1C(=O)NC(C)(c2ccc(C#N)cc2)C1=O)C1=CCCC1
InChIInChI=1S/C20H22N4O3/c1-3-23(16-6-4-5-7-16)17(25)13-24-18(26)20(2,22-19(24)27)15-10-8-14(12-21)9-11-15/h6,8-11H,3-5,7,13H2,1-2H3,(H,22,27)
InChIKeyRUWWBHQTQIGYFU-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.24
Rot. Bonds5

About 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide

2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide (PubChem CID 46814221) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
PubChem CID46814221
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1C(=O)NC(C)(c2ccc(C#N)cc2)C1=O)C1=CCCC1
InChIInChI=1S/C20H22N4O3/c1-3-23(16-6-4-5-7-16)17(25)13-24-18(26)20(2,22-19(24)27)15-10-8-14(12-21)9-11-15/h6,8-11H,3-5,7,13H2,1-2H3,(H,22,27)
InChIKeyRUWWBHQTQIGYFU-UHFFFAOYSA-N
XLogP2.24
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 4790492
4-[(4R)-1-(cyanomethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 41105372
4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 25479689
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8522584
2-[(4R)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 29156541
4-[(4S)-4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl]benzonitrile
CID 93253019
4-[(4S)-4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl]benzonitrile
CID 40972073
4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 47056816
4-[4-methyl-2,5-dioxo-1-(2-oxo-2-pyridin-4-ylethyl)imidazolidin-4-yl]benzonitrile
CID 155555500
2-[(4S)-4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide
CID 94798161
N-(4-acetamidophenyl)-2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40812694
ethyl 1-[2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 18074238

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide (CID 46814221) is 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide is CCN(C(=O)CN1C(=O)NC(C)(c2ccc(C#N)cc2)C1=O)C1=CCCC1.
What is the InChIKey of 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The InChIKey is RUWWBHQTQIGYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-23(16-6-4-5-7-16)17(25)13-24-18(26)20(2,22-19(24)27)15-10-8-14(12-21)9-11-15/h6,8-11H,3-5,7,13H2,1-2H3,(H,22,27).
What are the key properties of 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide has a molecular weight of 366.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide is sourced from PubChem (CID 46814221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).