3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one

C10H14N4O — CID 103125486

IUPAC3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCCCn1ccnc1
InChIInChI=1S/C10H14N4O/c15-10-12-4-8-14(10)6-2-1-5-13-7-3-11-9-13/h3-4,7-9H,1-2,5-6H2,(H,12,15)
InChIKeyJNVGZOVSNGBVFX-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.85
Rot. Bonds5

About 3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one

3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one (PubChem CID 103125486) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one
PubChem CID103125486
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCCCn1ccnc1
InChIInChI=1S/C10H14N4O/c15-10-12-4-8-14(10)6-2-1-5-13-7-3-11-9-13/h3-4,7-9H,1-2,5-6H2,(H,12,15)
InChIKeyJNVGZOVSNGBVFX-UHFFFAOYSA-N
XLogP0.85
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-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

3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107104039
3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one
CID 114761432
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide
CID 110445327
7-imidazol-1-ylheptane-1-thiol
CID 156850258
1-(4-imidazol-1-ylbutyl)indole
CID 151284685
6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione
CID 28994143
6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one
CID 114584039
2-(hydroxymethyl)-8-imidazol-1-yloctanoic acid;hydrochloride
CID 12870433
1-nonylimidazole;hydrobromide
CID 175434544
3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483663

Frequently Asked Questions

What is the IUPAC name of 3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one?
The IUPAC name of 3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one (CID 103125486) is 3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one is O=c1[nH]ccn1CCCCn1ccnc1.
What is the InChIKey of 3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one?
The InChIKey is JNVGZOVSNGBVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c15-10-12-4-8-14(10)6-2-1-5-13-7-3-11-9-13/h3-4,7-9H,1-2,5-6H2,(H,12,15).
What are the key properties of 3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one?
3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one is sourced from PubChem (CID 103125486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).