4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one

C9H17N3O — CID 79959724

IUPAC4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one
SMILESCCC(C)C1(C)C(N)=NC(=O)N1C
InChIInChI=1S/C9H17N3O/c1-5-6(2)9(3)7(10)11-8(13)12(9)4/h6H,5H2,1-4H3,(H2,10,11,13)
InChIKeyCGOBPEZWYZRPBK-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.21
Rot. Bonds2

About 4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one

4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one (PubChem CID 79959724) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one
PubChem CID79959724
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one
SMILESCCC(C)C1(C)C(N)=NC(=O)N1C
InChIInChI=1S/C9H17N3O/c1-5-6(2)9(3)7(10)11-8(13)12(9)4/h6H,5H2,1-4H3,(H2,10,11,13)
InChIKeyCGOBPEZWYZRPBK-UHFFFAOYSA-N
XLogP1.21
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one?
The IUPAC name of 4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one (CID 79959724) is 4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one.
What is the SMILES notation for 4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one?
The canonical SMILES for 4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one is CCC(C)C1(C)C(N)=NC(=O)N1C.
What is the InChIKey of 4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one?
The InChIKey is CGOBPEZWYZRPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-5-6(2)9(3)7(10)11-8(13)12(9)4/h6H,5H2,1-4H3,(H2,10,11,13).
What are the key properties of 4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one?
4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-butan-2-yl-1,5-dimethylimidazol-2-one is sourced from PubChem (CID 79959724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).