2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol

C9H14N2O — CID 174372836

IUPAC2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol
SMILESC=CCc1nc(CCO)[nH]c1C
InChIInChI=1S/C9H14N2O/c1-3-4-8-7(2)10-9(11-8)5-6-12/h3,12H,1,4-6H2,2H3,(H,10,11)
InChIKeyHHMIETDERVRBGJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.98
Rot. Bonds4

About 2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol

2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol (PubChem CID 174372836) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol
PubChem CID174372836
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol
SMILESC=CCc1nc(CCO)[nH]c1C
InChIInChI=1S/C9H14N2O/c1-3-4-8-7(2)10-9(11-8)5-6-12/h3,12H,1,4-6H2,2H3,(H,10,11)
InChIKeyHHMIETDERVRBGJ-UHFFFAOYSA-N
XLogP0.98
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole
CID 70142534
3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol
CID 55265936
2,4,5-tris(prop-2-enyl)-1H-imidazole
CID 23504290
2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline
CID 174406790
5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one
CID 70353542
[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methanol
CID 15566034
2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol
CID 71375570
2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol
CID 158833372
N-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 114996105
(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methanol
CID 105430142
6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione
CID 45092655
2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride
CID 170892262

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol?
The IUPAC name of 2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol (CID 174372836) is 2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol.
What is the SMILES notation for 2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol?
The canonical SMILES for 2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol is C=CCc1nc(CCO)[nH]c1C.
What is the InChIKey of 2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol?
The InChIKey is HHMIETDERVRBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-4-8-7(2)10-9(11-8)5-6-12/h3,12H,1,4-6H2,2H3,(H,10,11).
What are the key properties of 2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol?
2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol has a molecular weight of 166.22 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol is sourced from PubChem (CID 174372836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).