5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one

C10H17N3O2 — CID 79967925

IUPAC5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1C1CCOCC1
InChIInChI=1S/C10H17N3O2/c1-2-13-8(9(11)12-10(13)14)7-3-5-15-6-4-7/h7-8H,2-6H2,1H3,(H2,11,12,14)
InChIKeyAAKFGFPBGHQQOR-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.59
Rot. Bonds2

About 5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one

5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one (PubChem CID 79967925) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one
PubChem CID79967925
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1C1CCOCC1
InChIInChI=1S/C10H17N3O2/c1-2-13-8(9(11)12-10(13)14)7-3-5-15-6-4-7/h7-8H,2-6H2,1H3,(H2,11,12,14)
InChIKeyAAKFGFPBGHQQOR-UHFFFAOYSA-N
XLogP0.59
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-cyclopentyl-3-ethyl-4H-imidazol-2-one
CID 79967090
5-amino-4-cyclohex-3-en-1-yl-3-ethyl-4H-imidazol-2-one
CID 79967450
5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one
CID 79966964
5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one
CID 79966941
5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one
CID 79961654
5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one
CID 79968357
6-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64872906
5-amino-4-cyclohex-3-en-1-yl-3-prop-2-ynyl-4H-imidazol-2-one
CID 79967064
3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64885637
5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one
CID 113328663
5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one
CID 79968215
5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one
CID 83095040

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one (CID 79967925) is 5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one is CCN1C(=O)N=C(N)C1C1CCOCC1.
What is the InChIKey of 5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one?
The InChIKey is AAKFGFPBGHQQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-13-8(9(11)12-10(13)14)7-3-5-15-6-4-7/h7-8H,2-6H2,1H3,(H2,11,12,14).
What are the key properties of 5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one?
5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-4-(oxan-4-yl)-4H-imidazol-2-one is sourced from PubChem (CID 79967925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).