5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one

C9H17N3O — CID 79959928

IUPAC5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1CC(C)(C)C
InChIInChI=1S/C9H17N3O/c1-9(2,3)5-6-7(10)11-8(13)12(6)4/h6H,5H2,1-4H3,(H2,10,11,13)
InChIKeyMIBREZQDYOFDJW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.21
Rot. Bonds1

About 5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one

5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one (PubChem CID 79959928) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one
PubChem CID79959928
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1CC(C)(C)C
InChIInChI=1S/C9H17N3O/c1-9(2,3)5-6-7(10)11-8(13)12(6)4/h6H,5H2,1-4H3,(H2,10,11,13)
InChIKeyMIBREZQDYOFDJW-UHFFFAOYSA-N
XLogP1.21
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

Analyze 5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-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 5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one (CID 79959928) is 5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one is CN1C(=O)N=C(N)C1CC(C)(C)C.
What is the InChIKey of 5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one?
The InChIKey is MIBREZQDYOFDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,3)5-6-7(10)11-8(13)12(6)4/h6H,5H2,1-4H3,(H2,10,11,13).
What are the key properties of 5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one?
5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,2-dimethylpropyl)-3-methyl-4H-imidazol-2-one is sourced from PubChem (CID 79959928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).