4-(1H-imidazol-5-yloxy)butan-1-ol

C7H12N2O2 — CID 57247694

IUPAC4-(1H-imidazol-5-yloxy)butan-1-ol
SMILESOCCCCOc1cnc[nH]1
InChIInChI=1S/C7H12N2O2/c10-3-1-2-4-11-7-5-8-6-9-7/h5-6,10H,1-4H2,(H,8,9)
InChIKeyJBUJQLYEBHREPU-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.56
Rot. Bonds5

About 4-(1H-imidazol-5-yloxy)butan-1-ol

4-(1H-imidazol-5-yloxy)butan-1-ol (PubChem CID 57247694) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yloxy)butan-1-ol.

Molecular Properties

Compound Name4-(1H-imidazol-5-yloxy)butan-1-ol
PubChem CID57247694
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name4-(1H-imidazol-5-yloxy)butan-1-ol
SMILESOCCCCOc1cnc[nH]1
InChIInChI=1S/C7H12N2O2/c10-3-1-2-4-11-7-5-8-6-9-7/h5-6,10H,1-4H2,(H,8,9)
InChIKeyJBUJQLYEBHREPU-UHFFFAOYSA-N
XLogP0.56
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.56
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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Related Compounds

2-(1H-imidazol-5-yloxy)ethanamine
CID 57215348
[6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol
CID 10192667
5-pyridin-4-yloxypentan-1-ol
CID 46179486
7-pyridin-4-yloxyheptan-1-ol
CID 46179485
1H-imidazol-5-yl hexanoate
CID 57270701
2-(1H-imidazol-5-yl)ethanol;molecular hydrogen
CID 168881125
5-(difluoromethoxy)-1H-imidazole
CID 118818229
5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
CID 69024759
5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897627
5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol
CID 114216836
6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol
CID 177082644
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yloxy)butan-1-ol?
The IUPAC name of 4-(1H-imidazol-5-yloxy)butan-1-ol (CID 57247694) is 4-(1H-imidazol-5-yloxy)butan-1-ol.
What is the SMILES notation for 4-(1H-imidazol-5-yloxy)butan-1-ol?
The canonical SMILES for 4-(1H-imidazol-5-yloxy)butan-1-ol is OCCCCOc1cnc[nH]1.
What is the InChIKey of 4-(1H-imidazol-5-yloxy)butan-1-ol?
The InChIKey is JBUJQLYEBHREPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-3-1-2-4-11-7-5-8-6-9-7/h5-6,10H,1-4H2,(H,8,9).
What are the key properties of 4-(1H-imidazol-5-yloxy)butan-1-ol?
4-(1H-imidazol-5-yloxy)butan-1-ol has a molecular weight of 156.19 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yloxy)butan-1-ol is sourced from PubChem (CID 57247694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).