3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one

C15H19N3O3 — CID 83247775

IUPAC3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc([N+](=O)[O-])cc2)N(CC2CC2)C1=O
InChIInChI=1S/C15H19N3O3/c1-2-13-15(19)17(9-10-3-4-10)14(16-13)11-5-7-12(8-6-11)18(20)21/h5-8,10,13-14,16H,2-4,9H2,1H3
InChIKeyFBXHKZXUCSBKCS-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.21
Rot. Bonds5

About 3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one

3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one (PubChem CID 83247775) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
PubChem CID83247775
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc([N+](=O)[O-])cc2)N(CC2CC2)C1=O
InChIInChI=1S/C15H19N3O3/c1-2-13-15(19)17(9-10-3-4-10)14(16-13)11-5-7-12(8-6-11)18(20)21/h5-8,10,13-14,16H,2-4,9H2,1H3
InChIKeyFBXHKZXUCSBKCS-UHFFFAOYSA-N
XLogP2.21
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83245143
5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83262162
3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83248956
3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
CID 83239066
5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83247509
3-(2-cyclopropylethyl)-5-ethyl-2-(4-fluorophenyl)imidazolidin-4-one
CID 83258448
3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one
CID 83247730
3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
CID 83260672
2-(3-chlorophenyl)-3-(cyclopentylmethyl)-5-ethylimidazolidin-4-one
CID 83247552
2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one
CID 83247502
5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 115282378
3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one
CID 83237260

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one (CID 83247775) is 3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one is CCC1NC(c2ccc([N+](=O)[O-])cc2)N(CC2CC2)C1=O.
What is the InChIKey of 3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one?
The InChIKey is FBXHKZXUCSBKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-13-15(19)17(9-10-3-4-10)14(16-13)11-5-7-12(8-6-11)18(20)21/h5-8,10,13-14,16H,2-4,9H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one?
3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one has a molecular weight of 289.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one is sourced from PubChem (CID 83247775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).