1-(2-amino-1H-imidazol-5-yl)octan-1-one

C11H19N3O — CID 156580779

IUPAC1-(2-amino-1H-imidazol-5-yl)octan-1-one
SMILESCCCCCCCC(=O)c1cnc(N)[nH]1
InChIInChI=1S/C11H19N3O/c1-2-3-4-5-6-7-10(15)9-8-13-11(12)14-9/h8H,2-7H2,1H3,(H3,12,13,14)
InChIKeyKMWAVJRLCKAYGI-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.54
Rot. Bonds7

About 1-(2-amino-1H-imidazol-5-yl)octan-1-one

1-(2-amino-1H-imidazol-5-yl)octan-1-one (PubChem CID 156580779) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-amino-1H-imidazol-5-yl)octan-1-one.

Molecular Properties

Compound Name1-(2-amino-1H-imidazol-5-yl)octan-1-one
PubChem CID156580779
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(2-amino-1H-imidazol-5-yl)octan-1-one
SMILESCCCCCCCC(=O)c1cnc(N)[nH]1
InChIInChI=1S/C11H19N3O/c1-2-3-4-5-6-7-10(15)9-8-13-11(12)14-9/h8H,2-7H2,1H3,(H3,12,13,14)
InChIKeyKMWAVJRLCKAYGI-UHFFFAOYSA-N
XLogP2.54
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-amino-1H-imidazol-5-yl)octan-1-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 1-(2-amino-1H-imidazol-5-yl)octan-1-one?
The IUPAC name of 1-(2-amino-1H-imidazol-5-yl)octan-1-one (CID 156580779) is 1-(2-amino-1H-imidazol-5-yl)octan-1-one.
What is the SMILES notation for 1-(2-amino-1H-imidazol-5-yl)octan-1-one?
The canonical SMILES for 1-(2-amino-1H-imidazol-5-yl)octan-1-one is CCCCCCCC(=O)c1cnc(N)[nH]1.
What is the InChIKey of 1-(2-amino-1H-imidazol-5-yl)octan-1-one?
The InChIKey is KMWAVJRLCKAYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-4-5-6-7-10(15)9-8-13-11(12)14-9/h8H,2-7H2,1H3,(H3,12,13,14).
What are the key properties of 1-(2-amino-1H-imidazol-5-yl)octan-1-one?
1-(2-amino-1H-imidazol-5-yl)octan-1-one has a molecular weight of 209.29 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1H-imidazol-5-yl)octan-1-one is sourced from PubChem (CID 156580779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).