3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one

C15H19N3O3 — CID 114552256

IUPAC3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one
SMILESCC1CCC(N2C(=O)CNC2c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H19N3O3/c1-10-2-5-13(8-10)17-14(19)9-16-15(17)11-3-6-12(7-4-11)18(20)21/h3-4,6-7,10,13,15-16H,2,5,8-9H2,1H3
InChIKeyYZJPZKCLWUVVJC-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.21
Rot. Bonds3

About 3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one

3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one (PubChem CID 114552256) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one
PubChem CID114552256
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one
SMILESCC1CCC(N2C(=O)CNC2c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H19N3O3/c1-10-2-5-13(8-10)17-14(19)9-16-15(17)11-3-6-12(7-4-11)18(20)21/h3-4,6-7,10,13,15-16H,2,5,8-9H2,1H3
InChIKeyYZJPZKCLWUVVJC-UHFFFAOYSA-N
XLogP2.21
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one
CID 83244270
3-(4-methylcyclohexyl)-2-phenylimidazolidin-4-one
CID 83239821
3-(3-methylcyclopentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 114552339
3-(3,3-dimethylbutan-2-yl)-2-(4-nitrophenyl)imidazolidin-4-one
CID 114983567
5-methyl-3-(3-methylcyclopentyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 114552392
3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83245143
3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83254980
(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012085
2-(2,4-dimethylphenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one
CID 83248302
5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one
CID 83267221
2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one
CID 83256425
3-cycloheptyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83246732

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one?
The IUPAC name of 3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one (CID 114552256) is 3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one?
The canonical SMILES for 3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one is CC1CCC(N2C(=O)CNC2c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one?
The InChIKey is YZJPZKCLWUVVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-2-5-13(8-10)17-14(19)9-16-15(17)11-3-6-12(7-4-11)18(20)21/h3-4,6-7,10,13,15-16H,2,5,8-9H2,1H3.
What are the key properties of 3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one?
3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one has a molecular weight of 289.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclopentyl)-2-(4-nitrophenyl)imidazolidin-4-one is sourced from PubChem (CID 114552256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).