1-(1-methylimidazol-4-yl)oct-7-en-1-ol

C12H20N2O — CID 107978815

IUPAC1-(1-methylimidazol-4-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cn(C)cn1
InChIInChI=1S/C12H20N2O/c1-3-4-5-6-7-8-12(15)11-9-14(2)10-13-11/h3,9-10,12,15H,1,4-8H2,2H3
InChIKeyCTUUMHUEMOFDBH-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.59
Rot. Bonds7

About 1-(1-methylimidazol-4-yl)oct-7-en-1-ol

1-(1-methylimidazol-4-yl)oct-7-en-1-ol (PubChem CID 107978815) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)oct-7-en-1-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)oct-7-en-1-ol
PubChem CID107978815
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(1-methylimidazol-4-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cn(C)cn1
InChIInChI=1S/C12H20N2O/c1-3-4-5-6-7-8-12(15)11-9-14(2)10-13-11/h3,9-10,12,15H,1,4-8H2,2H3
InChIKeyCTUUMHUEMOFDBH-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-methylimidazol-4-yl)oct-7-en-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

Related Compounds

1-(1-methylimidazol-4-yl)-N-propyloct-7-en-1-amine
CID 114023315
N-methyl-1-(1-methylimidazol-4-yl)hex-5-en-1-amine
CID 107975594
1-(1-methylimidazol-4-yl)pent-4-enylhydrazine
CID 107979159
N-ethyl-1-(1-methylimidazol-4-yl)hex-5-en-1-amine
CID 107975605
1-(3-methylimidazol-4-yl)oct-7-en-1-ol
CID 107008689
1-(1,3-thiazol-4-yl)oct-7-en-1-ol
CID 107008661
1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol
CID 107012235
4-dodecan-5-yl-1-methylimidazole
CID 138655717
1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol
CID 107008588
1-(1-methylimidazol-4-yl)hex-5-en-1-one
CID 107976919
4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol
CID 107978695
1-(6-methyl-3-pyridinyl)oct-7-en-1-ol
CID 107012151

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)oct-7-en-1-ol?
The IUPAC name of 1-(1-methylimidazol-4-yl)oct-7-en-1-ol (CID 107978815) is 1-(1-methylimidazol-4-yl)oct-7-en-1-ol.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)oct-7-en-1-ol?
The canonical SMILES for 1-(1-methylimidazol-4-yl)oct-7-en-1-ol is C=CCCCCCC(O)c1cn(C)cn1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)oct-7-en-1-ol?
The InChIKey is CTUUMHUEMOFDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-5-6-7-8-12(15)11-9-14(2)10-13-11/h3,9-10,12,15H,1,4-8H2,2H3.
What are the key properties of 1-(1-methylimidazol-4-yl)oct-7-en-1-ol?
1-(1-methylimidazol-4-yl)oct-7-en-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)oct-7-en-1-ol is sourced from PubChem (CID 107978815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).