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'}

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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).