[3-(2-methylpropyl)imidazol-4-yl]methanol

C8H14N2O — CID 11686942

IUPAC[3-(2-methylpropyl)imidazol-4-yl]methanol
SMILESCC(C)Cn1cncc1CO
InChIInChI=1S/C8H14N2O/c1-7(2)4-10-6-9-3-8(10)5-11/h3,6-7,11H,4-5H2,1-2H3
InChIKeyQHLQRYOQMUYPSS-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.03
Rot. Bonds3

About [3-(2-methylpropyl)imidazol-4-yl]methanol

[3-(2-methylpropyl)imidazol-4-yl]methanol (PubChem CID 11686942) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is [3-(2-methylpropyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2-methylpropyl)imidazol-4-yl]methanol
PubChem CID11686942
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name[3-(2-methylpropyl)imidazol-4-yl]methanol
SMILESCC(C)Cn1cncc1CO
InChIInChI=1S/C8H14N2O/c1-7(2)4-10-6-9-3-8(10)5-11/h3,6-7,11H,4-5H2,1-2H3
InChIKeyQHLQRYOQMUYPSS-UHFFFAOYSA-N
XLogP1.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butyl-5-hydroxymethylimidazole
CID 2735673
(1-methyl-1H-imidazol-5-yl)methanol
CID 2773450
(2-Methyl-1H-imidazol-4-yl)methanol
CID 11480420
1-Methyl-2-nitro-1H-imidazole-5-methanol
CID 70292
1H-Imidazole-1-ethanol, 5-methyl-2-nitro-
CID 90177
Imidazole-1-ethanol, 4-methyl-2-nitro-
CID 90199
(1-(propan-2-yl)-1H-imidazol-5-yl)methanol
CID 20568531
[2-(dimethylamino)-1-methyl-1H-imidazol-5-yl]methanol
CID 64012368
3-(4-Hydroxymethyl-imidazol-1-yl)-nonan-2-ol
CID 14888756
(1,2-dimethyl-1H-imidazol-5-yl)methanol
CID 304328
1H-imidazole-5-methanol, 1-methyl-2-(methylthio)-
CID 638694
(1-methyl-1H-imidazol-4-yl)methanol
CID 7060524

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)imidazol-4-yl]methanol?
The IUPAC name of [3-(2-methylpropyl)imidazol-4-yl]methanol (CID 11686942) is [3-(2-methylpropyl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-(2-methylpropyl)imidazol-4-yl]methanol?
The canonical SMILES for [3-(2-methylpropyl)imidazol-4-yl]methanol is CC(C)Cn1cncc1CO.
What is the InChIKey of [3-(2-methylpropyl)imidazol-4-yl]methanol?
The InChIKey is QHLQRYOQMUYPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(2)4-10-6-9-3-8(10)5-11/h3,6-7,11H,4-5H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)imidazol-4-yl]methanol?
[3-(2-methylpropyl)imidazol-4-yl]methanol has a molecular weight of 154.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)imidazol-4-yl]methanol is sourced from PubChem (CID 11686942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).