4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one

C13H25N3O — CID 79959692

IUPAC4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one
SMILESCCCCC1(CC)C(N)=NC(=O)N1CC(C)C
InChIInChI=1S/C13H25N3O/c1-5-7-8-13(6-2)11(14)15-12(17)16(13)9-10(3)4/h10H,5-9H2,1-4H3,(H2,14,15,17)
InChIKeyAGJXKGBNWRKCIW-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.77
Rot. Bonds6

About 4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one

4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one (PubChem CID 79959692) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one.

Molecular Properties

Compound Name4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one
PubChem CID79959692
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one
SMILESCCCCC1(CC)C(N)=NC(=O)N1CC(C)C
InChIInChI=1S/C13H25N3O/c1-5-7-8-13(6-2)11(14)15-12(17)16(13)9-10(3)4/h10H,5-9H2,1-4H3,(H2,14,15,17)
InChIKeyAGJXKGBNWRKCIW-UHFFFAOYSA-N
XLogP2.77
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one?
The IUPAC name of 4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one (CID 79959692) is 4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one.
What is the SMILES notation for 4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one?
The canonical SMILES for 4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one is CCCCC1(CC)C(N)=NC(=O)N1CC(C)C.
What is the InChIKey of 4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one?
The InChIKey is AGJXKGBNWRKCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-7-8-13(6-2)11(14)15-12(17)16(13)9-10(3)4/h10H,5-9H2,1-4H3,(H2,14,15,17).
What are the key properties of 4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one?
4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one has a molecular weight of 239.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-butyl-5-ethyl-1-(2-methylpropyl)imidazol-2-one is sourced from PubChem (CID 79959692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).