2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol

C13H22N2O — CID 56754070

IUPAC2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol
SMILESCC(C)=CCCC(C)c1nccn1CCO
InChIInChI=1S/C13H22N2O/c1-11(2)5-4-6-12(3)13-14-7-8-15(13)9-10-16/h5,7-8,12,16H,4,6,9-10H2,1-3H3
InChIKeyRDPDKHJNHSNZJU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.73
Rot. Bonds6

About 2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol

2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol (PubChem CID 56754070) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol
PubChem CID56754070
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol
SMILESCC(C)=CCCC(C)c1nccn1CCO
InChIInChI=1S/C13H22N2O/c1-11(2)5-4-6-12(3)13-14-7-8-15(13)9-10-16/h5,7-8,12,16H,4,6,9-10H2,1-3H3
InChIKeyRDPDKHJNHSNZJU-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1-(1-pentylimidazol-2-yl)butan-1-ol
CID 134858954
1-(3,7-Dimethyloct-6-en-1-yl)-1H-imidazole
CID 71367182
(1S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 95230512
1H-Imidazolium, 1-ethyl-2-(8-heptadecen-1-yl)-3-(2-hydroxyethyl)-, ethyl sulfate (1:1)
CID 16205235
1-[1-(3-Fluorobut-3-enyl)imidazol-2-yl]-2-methylpropan-1-ol
CID 156288834
(4S)-6-methyl-4-(1-methylimidazol-2-yl)hept-5-en-2-one
CID 102311261
2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazol-1-ium-1-yl]ethanol
CID 16205236
2-(2,6-Dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole
CID 151519521
2-{4-[(2-cyclohex-3-en-1-yl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethanol
CID 56710356
N-(2-hydroxyethyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 56759916
(E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol
CID 20501333
(E)-1-imidazol-1-yloct-3-en-2-ol
CID 21397880

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol (CID 56754070) is 2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol is CC(C)=CCCC(C)c1nccn1CCO.
What is the InChIKey of 2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol?
The InChIKey is RDPDKHJNHSNZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)5-4-6-12(3)13-14-7-8-15(13)9-10-16/h5,7-8,12,16H,4,6,9-10H2,1-3H3.
What are the key properties of 2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol?
2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol has a molecular weight of 222.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methylhept-5-en-2-yl)imidazol-1-yl]ethanol is sourced from PubChem (CID 56754070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).