5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one

C11H21N3O — CID 79961654

IUPAC5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one
SMILESCCCCCCC1C(N)=NC(=O)N1CC
InChIInChI=1S/C11H21N3O/c1-3-5-6-7-8-9-10(12)13-11(15)14(9)4-2/h9H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyPVKKBLFXZHCNNV-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.14
Rot. Bonds6

About 5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one

5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one (PubChem CID 79961654) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one
PubChem CID79961654
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one
SMILESCCCCCCC1C(N)=NC(=O)N1CC
InChIInChI=1S/C11H21N3O/c1-3-5-6-7-8-9-10(12)13-11(15)14(9)4-2/h9H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyPVKKBLFXZHCNNV-UHFFFAOYSA-N
XLogP2.14
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-heptyl-3-propyl-4H-imidazol-2-one
CID 79961419
5-amino-4-hexyl-3-prop-2-ynyl-4H-imidazol-2-one
CID 79968090
3-butyl-1-ethylaziridin-2-one
CID 18006250
5-amino-4-butyl-3-but-3-yn-2-yl-4H-imidazol-2-one
CID 114420979
3-butyl-1-heptylaziridin-2-one
CID 23178730
5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one
CID 79967925
5-amino-4-cyclopentyl-3-ethyl-4H-imidazol-2-one
CID 79967090
1-ethyl-4-imino-5-pentylimidazolidin-2-one
CID 138389280
5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one
CID 79967176
5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one
CID 79961456
4-undecylcyclopentane-1,2-dione
CID 54303237
5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79961059

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one (CID 79961654) is 5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one is CCCCCCC1C(N)=NC(=O)N1CC.
What is the InChIKey of 5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one?
The InChIKey is PVKKBLFXZHCNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-5-6-7-8-9-10(12)13-11(15)14(9)4-2/h9H,3-8H2,1-2H3,(H2,12,13,15).
What are the key properties of 5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one?
5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one has a molecular weight of 211.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one is sourced from PubChem (CID 79961654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).