3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol

C9H18N2O2 — CID 68798763

IUPAC3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol
SMILESOCCCN1C=CN(CCCO)C1
InChIInChI=1S/C9H18N2O2/c12-7-1-3-10-5-6-11(9-10)4-2-8-13/h5-6,12-13H,1-4,7-9H2
InChIKeyLJNBRRHDBFYHPL-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.20
Rot. Bonds6

About 3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol

3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol (PubChem CID 68798763) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol
PubChem CID68798763
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol
SMILESOCCCN1C=CN(CCCO)C1
InChIInChI=1S/C9H18N2O2/c12-7-1-3-10-5-6-11(9-10)4-2-8-13/h5-6,12-13H,1-4,7-9H2
InChIKeyLJNBRRHDBFYHPL-UHFFFAOYSA-N
XLogP-0.20
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol 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 3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol (CID 68798763) is 3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol is OCCCN1C=CN(CCCO)C1.
What is the InChIKey of 3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol?
The InChIKey is LJNBRRHDBFYHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c12-7-1-3-10-5-6-11(9-10)4-2-8-13/h5-6,12-13H,1-4,7-9H2.
What are the key properties of 3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol?
3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol has a molecular weight of 186.25 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxypropyl)-2H-imidazol-1-yl]propan-1-ol is sourced from PubChem (CID 68798763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).