2-(3-nitrophenyl)-1-pentylimidazolidin-4-one

C14H19N3O3 — CID 84599243

IUPAC2-(3-nitrophenyl)-1-pentylimidazolidin-4-one
SMILESCCCCCN1CC(=O)NC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-2-3-4-8-16-10-13(18)15-14(16)11-6-5-7-12(9-11)17(19)20/h5-7,9,14H,2-4,8,10H2,1H3,(H,15,18)
InChIKeySVEAVOQLOHHRBX-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.22
Rot. Bonds6

About 2-(3-nitrophenyl)-1-pentylimidazolidin-4-one

2-(3-nitrophenyl)-1-pentylimidazolidin-4-one (PubChem CID 84599243) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-1-pentylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-nitrophenyl)-1-pentylimidazolidin-4-one
PubChem CID84599243
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(3-nitrophenyl)-1-pentylimidazolidin-4-one
SMILESCCCCCN1CC(=O)NC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-2-3-4-8-16-10-13(18)15-14(16)11-6-5-7-12(9-11)17(19)20/h5-7,9,14H,2-4,8,10H2,1H3,(H,15,18)
InChIKeySVEAVOQLOHHRBX-UHFFFAOYSA-N
XLogP2.22
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one
CID 83237260
5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one
CID 115282118
butyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3091111
ethyl 3-methyl-6-(3-nitrophenyl)-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 614484
1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one
CID 14920471
2-(3-nitrophenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 114983283
(6R)-3-ethyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 1480723
3-ethyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 3758611
4-(bromomethyl)-3-methyl-5-nitro-6-(3-nitrophenyl)-1,6-dihydropyrimidin-2-one
CID 139230096
3-(4-methoxybutan-2-yl)-2-(3-nitrophenyl)imidazolidin-4-one
CID 83268031
3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one
CID 83260322
(5R)-1-hexadecyl-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
CID 129374257

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-1-pentylimidazolidin-4-one?
The IUPAC name of 2-(3-nitrophenyl)-1-pentylimidazolidin-4-one (CID 84599243) is 2-(3-nitrophenyl)-1-pentylimidazolidin-4-one.
What is the SMILES notation for 2-(3-nitrophenyl)-1-pentylimidazolidin-4-one?
The canonical SMILES for 2-(3-nitrophenyl)-1-pentylimidazolidin-4-one is CCCCCN1CC(=O)NC1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-nitrophenyl)-1-pentylimidazolidin-4-one?
The InChIKey is SVEAVOQLOHHRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-3-4-8-16-10-13(18)15-14(16)11-6-5-7-12(9-11)17(19)20/h5-7,9,14H,2-4,8,10H2,1H3,(H,15,18).
What are the key properties of 2-(3-nitrophenyl)-1-pentylimidazolidin-4-one?
2-(3-nitrophenyl)-1-pentylimidazolidin-4-one has a molecular weight of 277.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-1-pentylimidazolidin-4-one is sourced from PubChem (CID 84599243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).