[5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol

C17H19N5O2 — CID 154767354

IUPAC[5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol
SMILESOCc1n[nH]c(Cn2cnc(-c3ccccc3)c2C2CCOC2)n1
InChIInChI=1S/C17H19N5O2/c23-9-15-19-14(20-21-15)8-22-11-18-16(12-4-2-1-3-5-12)17(22)13-6-7-24-10-13/h1-5,11,13,23H,6-10H2,(H,19,20,21)
InChIKeyHEEIJVQIWYTZOT-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.71
Rot. Bonds5

About [5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol

[5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol (PubChem CID 154767354) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is [5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol
PubChem CID154767354
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name[5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol
SMILESOCc1n[nH]c(Cn2cnc(-c3ccccc3)c2C2CCOC2)n1
InChIInChI=1S/C17H19N5O2/c23-9-15-19-14(20-21-15)8-22-11-18-16(12-4-2-1-3-5-12)17(22)13-6-7-24-10-13/h1-5,11,13,23H,6-10H2,(H,19,20,21)
InChIKeyHEEIJVQIWYTZOT-UHFFFAOYSA-N
XLogP1.71
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol 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 [5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol (CID 154767354) is [5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol is OCc1n[nH]c(Cn2cnc(-c3ccccc3)c2C2CCOC2)n1.
What is the InChIKey of [5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol?
The InChIKey is HEEIJVQIWYTZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-9-15-19-14(20-21-15)8-22-11-18-16(12-4-2-1-3-5-12)17(22)13-6-7-24-10-13/h1-5,11,13,23H,6-10H2,(H,19,20,21).
What are the key properties of [5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol?
[5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol has a molecular weight of 325.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 154767354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).