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

C14H17N3O3 — CID 83245143

IUPAC3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc([N+](=O)[O-])cc2)N(C2CC2)C1=O
InChIInChI=1S/C14H17N3O3/c1-2-12-14(18)16(10-7-8-10)13(15-12)9-3-5-11(6-4-9)17(19)20/h3-6,10,12-13,15H,2,7-8H2,1H3
InChIKeyGGQJJCCOXIIGSU-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.97
Rot. Bonds4

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

3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one (PubChem CID 83245143) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
PubChem CID83245143
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc([N+](=O)[O-])cc2)N(C2CC2)C1=O
InChIInChI=1S/C14H17N3O3/c1-2-12-14(18)16(10-7-8-10)13(15-12)9-3-5-11(6-4-9)17(19)20/h3-6,10,12-13,15H,2,7-8H2,1H3
InChIKeyGGQJJCCOXIIGSU-UHFFFAOYSA-N
XLogP1.97
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.97
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-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83248956
5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83262162
3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83247775
3-cyclopentyl-5-ethyl-2-(4-fluorophenyl)imidazolidin-4-one
CID 83242494
5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one
CID 83267221
3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
CID 83260672
3-cyclopropyl-2-(4-ethylphenyl)-5-propylimidazolidin-4-one
CID 83242888
3-cyclobutyl-2-(3,4-difluorophenyl)-5-ethylimidazolidin-4-one
CID 83254392
3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
CID 83239066
5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
CID 83252752
5-butyl-3-cyclopropyl-2-(4-ethylphenyl)imidazolidin-4-one
CID 83244903
5-ethyl-2-(4-methylphenyl)-3-(oxan-3-yl)imidazolidin-4-one
CID 83263894

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one?
The IUPAC name of 3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one (CID 83245143) is 3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one?
The canonical SMILES for 3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one is CCC1NC(c2ccc([N+](=O)[O-])cc2)N(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one?
The InChIKey is GGQJJCCOXIIGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-12-14(18)16(10-7-8-10)13(15-12)9-3-5-11(6-4-9)17(19)20/h3-6,10,12-13,15H,2,7-8H2,1H3.
What are the key properties of 3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one?
3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one has a molecular weight of 275.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one is sourced from PubChem (CID 83245143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).