4-amino-5-heptyl-1,5-dimethylimidazol-2-one

C12H23N3O — CID 79959265

IUPAC4-amino-5-heptyl-1,5-dimethylimidazol-2-one
SMILESCCCCCCCC1(C)C(N)=NC(=O)N1C
InChIInChI=1S/C12H23N3O/c1-4-5-6-7-8-9-12(2)10(13)14-11(16)15(12)3/h4-9H2,1-3H3,(H2,13,14,16)
InChIKeyOEZVHOOSYLWNOG-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.53
Rot. Bonds6

About 4-amino-5-heptyl-1,5-dimethylimidazol-2-one

4-amino-5-heptyl-1,5-dimethylimidazol-2-one (PubChem CID 79959265) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-amino-5-heptyl-1,5-dimethylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-heptyl-1,5-dimethylimidazol-2-one
PubChem CID79959265
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-amino-5-heptyl-1,5-dimethylimidazol-2-one
SMILESCCCCCCCC1(C)C(N)=NC(=O)N1C
InChIInChI=1S/C12H23N3O/c1-4-5-6-7-8-9-12(2)10(13)14-11(16)15(12)3/h4-9H2,1-3H3,(H2,13,14,16)
InChIKeyOEZVHOOSYLWNOG-UHFFFAOYSA-N
XLogP2.53
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.53
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 4-amino-5-heptyl-1,5-dimethylimidazol-2-one?
The IUPAC name of 4-amino-5-heptyl-1,5-dimethylimidazol-2-one (CID 79959265) is 4-amino-5-heptyl-1,5-dimethylimidazol-2-one.
What is the SMILES notation for 4-amino-5-heptyl-1,5-dimethylimidazol-2-one?
The canonical SMILES for 4-amino-5-heptyl-1,5-dimethylimidazol-2-one is CCCCCCCC1(C)C(N)=NC(=O)N1C.
What is the InChIKey of 4-amino-5-heptyl-1,5-dimethylimidazol-2-one?
The InChIKey is OEZVHOOSYLWNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-5-6-7-8-9-12(2)10(13)14-11(16)15(12)3/h4-9H2,1-3H3,(H2,13,14,16).
What are the key properties of 4-amino-5-heptyl-1,5-dimethylimidazol-2-one?
4-amino-5-heptyl-1,5-dimethylimidazol-2-one has a molecular weight of 225.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-heptyl-1,5-dimethylimidazol-2-one is sourced from PubChem (CID 79959265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).