[5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol

C12H15N3O2 — CID 79794172

IUPAC[5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol
SMILESOCc1ccc(OCCCn2ccnc2)cn1
InChIInChI=1S/C12H15N3O2/c16-9-11-2-3-12(8-14-11)17-7-1-5-15-6-4-13-10-15/h2-4,6,8,10,16H,1,5,7,9H2
InChIKeyHNQDRRFDWQTXGR-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.24
Rot. Bonds6

About [5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol

[5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol (PubChem CID 79794172) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol
PubChem CID79794172
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol
SMILESOCc1ccc(OCCCn2ccnc2)cn1
InChIInChI=1S/C12H15N3O2/c16-9-11-2-3-12(8-14-11)17-7-1-5-15-6-4-13-10-15/h2-4,6,8,10,16H,1,5,7,9H2
InChIKeyHNQDRRFDWQTXGR-UHFFFAOYSA-N
XLogP1.24
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol 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

2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine
CID 79799328
2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 104601036
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]methanol
CID 79800375
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
3-(3-imidazol-1-ylpropoxy)phenol
CID 61492833
1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
CID 115495270
N'-hydroxy-4-(3-imidazol-1-ylpropoxy)benzenecarboximidamide
CID 109374420
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole
CID 67859856
1-[3-[4-(azetidin-1-ylmethyl)phenoxy]propyl]imidazole
CID 77085814

Frequently Asked Questions

What is the IUPAC name of [5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol (CID 79794172) is [5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol is OCc1ccc(OCCCn2ccnc2)cn1.
What is the InChIKey of [5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol?
The InChIKey is HNQDRRFDWQTXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-9-11-2-3-12(8-14-11)17-7-1-5-15-6-4-13-10-15/h2-4,6,8,10,16H,1,5,7,9H2.
What are the key properties of [5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol?
[5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol has a molecular weight of 233.27 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 79794172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).