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

C15H21N3O3 — CID 83237260

IUPAC3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one
SMILESCCCCN1C(=O)C(CC)NC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-3-5-9-17-14(16-13(4-2)15(17)19)11-7-6-8-12(10-11)18(20)21/h6-8,10,13-14,16H,3-5,9H2,1-2H3
InChIKeyPAHXKAJUIWUYCQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.60
Rot. Bonds6

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

3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one (PubChem CID 83237260) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one
PubChem CID83237260
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one
SMILESCCCCN1C(=O)C(CC)NC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-3-5-9-17-14(16-13(4-2)15(17)19)11-7-6-8-12(10-11)18(20)21/h6-8,10,13-14,16H,3-5,9H2,1-2H3
InChIKeyPAHXKAJUIWUYCQ-UHFFFAOYSA-N
XLogP2.60
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one?
The IUPAC name of 3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one (CID 83237260) is 3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one?
The canonical SMILES for 3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one is CCCCN1C(=O)C(CC)NC1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one?
The InChIKey is PAHXKAJUIWUYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-5-9-17-14(16-13(4-2)15(17)19)11-7-6-8-12(10-11)18(20)21/h6-8,10,13-14,16H,3-5,9H2,1-2H3.
What are the key properties of 3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one?
3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one has a molecular weight of 291.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one is sourced from PubChem (CID 83237260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).