2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol

C13H22N2O — CID 104656423

IUPAC2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1nccn1CCC
InChIInChI=1S/C13H22N2O/c1-4-6-7-13(3,16)11-12-14-8-10-15(12)9-5-2/h4,8,10,16H,1,5-7,9,11H2,2-3H3
InChIKeyWQYCFPDAAYXNJM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.55
Rot. Bonds7

About 2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol

2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol (PubChem CID 104656423) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol
PubChem CID104656423
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1nccn1CCC
InChIInChI=1S/C13H22N2O/c1-4-6-7-13(3,16)11-12-14-8-10-15(12)9-5-2/h4,8,10,16H,1,5-7,9,11H2,2-3H3
InChIKeyWQYCFPDAAYXNJM-UHFFFAOYSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.55
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

4-[(dimethylamino)methyl]-1-[(1-propyl-1H-imidazol-2-yl)methyl]-4-azepanol
CID 56901348
3-(1-Methylimidazol-2-yl)pentan-3-ol
CID 63975988
1-(1-Pentylimidazol-2-yl)cyclohexan-1-ol
CID 102490462
3-(1-Cyclohexylimidazol-2-yl)pentan-3-ol
CID 102490470
1-(1-Methyl-1H-imidazol-2-yl)cyclohexan-1-ol
CID 49962356
3-(1-Pentylimidazol-2-yl)pentan-3-ol
CID 102490460
6,8-Di-t-butyl-8-hydroxy-1-methyl-7,8-dihydro-1h-imidazo[1,2-a]pyridin-4-ium bromide
CID 129876226
3,7-Dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol
CID 134837468
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-4-methylazepan-4-ol
CID 107407909
6,6,6-Trifluoro-2-methyl-1-(1-methylimidazol-2-yl)hexan-2-ol
CID 113533950
6,6,6-Trifluoro-2-(1-propylimidazol-2-yl)hexan-2-ol
CID 113533983
7,7,7-Trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol
CID 114529326

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol?
The IUPAC name of 2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol (CID 104656423) is 2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol.
What is the SMILES notation for 2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol?
The canonical SMILES for 2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol is C=CCCC(C)(O)Cc1nccn1CCC.
What is the InChIKey of 2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol?
The InChIKey is WQYCFPDAAYXNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-6-7-13(3,16)11-12-14-8-10-15(12)9-5-2/h4,8,10,16H,1,5-7,9,11H2,2-3H3.
What are the key properties of 2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol?
2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol is sourced from PubChem (CID 104656423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).