4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one

C12H23N3O — CID 79959488

IUPAC4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one
SMILESCCC(C)C1(C)C(N)=NC(=O)N1CC(C)C
InChIInChI=1S/C12H23N3O/c1-6-9(4)12(5)10(13)14-11(16)15(12)7-8(2)3/h8-9H,6-7H2,1-5H3,(H2,13,14,16)
InChIKeyARROELXCMGWARZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.24
Rot. Bonds4

About 4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one

4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one (PubChem CID 79959488) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one.

Molecular Properties

Compound Name4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one
PubChem CID79959488
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one
SMILESCCC(C)C1(C)C(N)=NC(=O)N1CC(C)C
InChIInChI=1S/C12H23N3O/c1-6-9(4)12(5)10(13)14-11(16)15(12)7-8(2)3/h8-9H,6-7H2,1-5H3,(H2,13,14,16)
InChIKeyARROELXCMGWARZ-UHFFFAOYSA-N
XLogP2.24
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one?
The IUPAC name of 4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one (CID 79959488) is 4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one.
What is the SMILES notation for 4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one?
The canonical SMILES for 4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one is CCC(C)C1(C)C(N)=NC(=O)N1CC(C)C.
What is the InChIKey of 4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one?
The InChIKey is ARROELXCMGWARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-9(4)12(5)10(13)14-11(16)15(12)7-8(2)3/h8-9H,6-7H2,1-5H3,(H2,13,14,16).
What are the key properties of 4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one?
4-amino-5-butan-2-yl-5-methyl-1-(2-methylpropyl)imidazol-2-one has a molecular weight of 225.34 g/mol, XLogP of 2.24, 4 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-5-methyl-1-(2-methylpropyl)imidazol-2-one is sourced from PubChem (CID 79959488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).