3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol

C12H22N2O2 — CID 105098448

IUPAC3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol
SMILESCCCOCCC(O)c1nccn1CCC
InChIInChI=1S/C12H22N2O2/c1-3-7-14-8-6-13-12(14)11(15)5-10-16-9-4-2/h6,8,11,15H,3-5,7,9-10H2,1-2H3
InChIKeyVIEHJJLXUWAWSB-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.14
Rot. Bonds8

About 3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol

3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol (PubChem CID 105098448) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol
PubChem CID105098448
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol
SMILESCCCOCCC(O)c1nccn1CCC
InChIInChI=1S/C12H22N2O2/c1-3-7-14-8-6-13-12(14)11(15)5-10-16-9-4-2/h6,8,11,15H,3-5,7,9-10H2,1-2H3
InChIKeyVIEHJJLXUWAWSB-UHFFFAOYSA-N
XLogP2.14
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol
CID 102927681
3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol
CID 105099040
3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine
CID 102927817
1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105098459
N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167661
1-(1-propylimidazol-2-yl)-2-pyridin-2-ylethanol
CID 63977142
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148700
[2-methoxy-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105207224
3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol
CID 115799261
(1-propylimidazol-2-yl)-(1H-pyrazol-4-yl)methanol
CID 63080686
(4-ethylcyclohexyl)-(1-propylimidazol-2-yl)methanol
CID 65393927
(5-ethylfuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 63976677

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol (CID 105098448) is 3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol is CCCOCCC(O)c1nccn1CCC.
What is the InChIKey of 3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol?
The InChIKey is VIEHJJLXUWAWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-7-14-8-6-13-12(14)11(15)5-10-16-9-4-2/h6,8,11,15H,3-5,7,9-10H2,1-2H3.
What are the key properties of 3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol?
3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 105098448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).