5-amino-4-heptyl-3-propyl-4H-imidazol-2-one

C13H25N3O — CID 79961419

IUPAC5-amino-4-heptyl-3-propyl-4H-imidazol-2-one
SMILESCCCCCCCC1C(N)=NC(=O)N1CCC
InChIInChI=1S/C13H25N3O/c1-3-5-6-7-8-9-11-12(14)15-13(17)16(11)10-4-2/h11H,3-10H2,1-2H3,(H2,14,15,17)
InChIKeyGOSJMJXPNGCKQO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.92
Rot. Bonds8

About 5-amino-4-heptyl-3-propyl-4H-imidazol-2-one

5-amino-4-heptyl-3-propyl-4H-imidazol-2-one (PubChem CID 79961419) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-amino-4-heptyl-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-heptyl-3-propyl-4H-imidazol-2-one
PubChem CID79961419
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-amino-4-heptyl-3-propyl-4H-imidazol-2-one
SMILESCCCCCCCC1C(N)=NC(=O)N1CCC
InChIInChI=1S/C13H25N3O/c1-3-5-6-7-8-9-11-12(14)15-13(17)16(11)10-4-2/h11H,3-10H2,1-2H3,(H2,14,15,17)
InChIKeyGOSJMJXPNGCKQO-UHFFFAOYSA-N
XLogP2.92
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-amino-4-heptyl-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-heptyl-3-propyl-4H-imidazol-2-one (CID 79961419) is 5-amino-4-heptyl-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-heptyl-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-heptyl-3-propyl-4H-imidazol-2-one is CCCCCCCC1C(N)=NC(=O)N1CCC.
What is the InChIKey of 5-amino-4-heptyl-3-propyl-4H-imidazol-2-one?
The InChIKey is GOSJMJXPNGCKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-5-6-7-8-9-11-12(14)15-13(17)16(11)10-4-2/h11H,3-10H2,1-2H3,(H2,14,15,17).
What are the key properties of 5-amino-4-heptyl-3-propyl-4H-imidazol-2-one?
5-amino-4-heptyl-3-propyl-4H-imidazol-2-one has a molecular weight of 239.36 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-heptyl-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79961419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).