2-amino-4,4-dipentyl-1H-imidazol-5-one

C13H25N3O — CID 69189943

IUPAC2-amino-4,4-dipentyl-1H-imidazol-5-one
SMILESCCCCCC1(CCCCC)N=C(N)NC1=O
InChIInChI=1S/C13H25N3O/c1-3-5-7-9-13(10-8-6-4-2)11(17)15-12(14)16-13/h3-10H2,1-2H3,(H3,14,15,16,17)
InChIKeyBZOGCYUELYQVEI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.33
Rot. Bonds8

About 2-amino-4,4-dipentyl-1H-imidazol-5-one

2-amino-4,4-dipentyl-1H-imidazol-5-one (PubChem CID 69189943) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-amino-4,4-dipentyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4,4-dipentyl-1H-imidazol-5-one
PubChem CID69189943
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-amino-4,4-dipentyl-1H-imidazol-5-one
SMILESCCCCCC1(CCCCC)N=C(N)NC1=O
InChIInChI=1S/C13H25N3O/c1-3-5-7-9-13(10-8-6-4-2)11(17)15-12(14)16-13/h3-10H2,1-2H3,(H3,14,15,16,17)
InChIKeyBZOGCYUELYQVEI-UHFFFAOYSA-N
XLogP2.33
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-4,4-dipentyl-1H-imidazol-5-one with MolForge

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

Launch Full Analysis

Related Compounds

2-Amino-1,3-diazaspiro[4.4]non-1-en-4-one
CID 12430326
2-Imino-5-butyl-5-isopropyl-3-methyl-imidazolidin-4-one
CID 45072288
2-Imino-5-butyl-5-cyclopropyl-3-methylimidazolidin-4-one
CID 45072289
2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1H-imidazol-5-one
CID 57843890
2-Amino-5-butyl-5-cyclohexyl-3-methylimidazol-4-one
CID 57843973
2-Amino-5,5-dibutyl-3-methylimidazol-4-one
CID 57844497
(5R)-2-amino-5-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one
CID 59387876
(5S)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one
CID 68102615
2-Amino-5-butyl-3-methyl-5-propylimidazol-4-one
CID 68322273
2-amino-4-methyl-4-(2-methylpropyl)-1H-imidazol-5-one
CID 68322355
2-Amino-5-(cyclohexylmethyl)-5-ethyl-3-methylimidazol-4-one
CID 68322364
(4R)-2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1H-imidazol-5-one
CID 68322391

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-dipentyl-1H-imidazol-5-one?
The IUPAC name of 2-amino-4,4-dipentyl-1H-imidazol-5-one (CID 69189943) is 2-amino-4,4-dipentyl-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4,4-dipentyl-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4,4-dipentyl-1H-imidazol-5-one is CCCCCC1(CCCCC)N=C(N)NC1=O.
What is the InChIKey of 2-amino-4,4-dipentyl-1H-imidazol-5-one?
The InChIKey is BZOGCYUELYQVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-5-7-9-13(10-8-6-4-2)11(17)15-12(14)16-13/h3-10H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 2-amino-4,4-dipentyl-1H-imidazol-5-one?
2-amino-4,4-dipentyl-1H-imidazol-5-one has a molecular weight of 239.36 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-dipentyl-1H-imidazol-5-one is sourced from PubChem (CID 69189943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).