1-(2-aminobutyl)-3-ethylimidazol-2-one

C9H17N3O — CID 80580262

IUPAC1-(2-aminobutyl)-3-ethylimidazol-2-one
SMILESCCC(N)Cn1ccn(CC)c1=O
InChIInChI=1S/C9H17N3O/c1-3-8(10)7-12-6-5-11(4-2)9(12)13/h5-6,8H,3-4,7,10H2,1-2H3
InChIKeyOJQGMNHQIRWDLA-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.41
Rot. Bonds4

About 1-(2-aminobutyl)-3-ethylimidazol-2-one

1-(2-aminobutyl)-3-ethylimidazol-2-one (PubChem CID 80580262) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2-aminobutyl)-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-(2-aminobutyl)-3-ethylimidazol-2-one
PubChem CID80580262
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(2-aminobutyl)-3-ethylimidazol-2-one
SMILESCCC(N)Cn1ccn(CC)c1=O
InChIInChI=1S/C9H17N3O/c1-3-8(10)7-12-6-5-11(4-2)9(12)13/h5-6,8H,3-4,7,10H2,1-2H3
InChIKeyOJQGMNHQIRWDLA-UHFFFAOYSA-N
XLogP0.41
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-3-ethylimidazol-2-one?
The IUPAC name of 1-(2-aminobutyl)-3-ethylimidazol-2-one (CID 80580262) is 1-(2-aminobutyl)-3-ethylimidazol-2-one.
What is the SMILES notation for 1-(2-aminobutyl)-3-ethylimidazol-2-one?
The canonical SMILES for 1-(2-aminobutyl)-3-ethylimidazol-2-one is CCC(N)Cn1ccn(CC)c1=O.
What is the InChIKey of 1-(2-aminobutyl)-3-ethylimidazol-2-one?
The InChIKey is OJQGMNHQIRWDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-8(10)7-12-6-5-11(4-2)9(12)13/h5-6,8H,3-4,7,10H2,1-2H3.
What are the key properties of 1-(2-aminobutyl)-3-ethylimidazol-2-one?
1-(2-aminobutyl)-3-ethylimidazol-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutyl)-3-ethylimidazol-2-one is sourced from PubChem (CID 80580262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).