[1-(cyclobutylmethyl)imidazol-4-yl]methanol

C9H14N2O — CID 130482091

IUPAC[1-(cyclobutylmethyl)imidazol-4-yl]methanol
SMILESOCc1cn(CC2CCC2)cn1
InChIInChI=1S/C9H14N2O/c12-6-9-5-11(7-10-9)4-8-2-1-3-8/h5,7-8,12H,1-4,6H2
InChIKeyAPIBNCXTFFWVDZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.18
Rot. Bonds3

About [1-(cyclobutylmethyl)imidazol-4-yl]methanol

[1-(cyclobutylmethyl)imidazol-4-yl]methanol (PubChem CID 130482091) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is [1-(cyclobutylmethyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(cyclobutylmethyl)imidazol-4-yl]methanol
PubChem CID130482091
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name[1-(cyclobutylmethyl)imidazol-4-yl]methanol
SMILESOCc1cn(CC2CCC2)cn1
InChIInChI=1S/C9H14N2O/c12-6-9-5-11(7-10-9)4-8-2-1-3-8/h5,7-8,12H,1-4,6H2
InChIKeyAPIBNCXTFFWVDZ-UHFFFAOYSA-N
XLogP1.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(cyclohexylmethyl)imidazole
CID 56616752
2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine
CID 79985662
4-(chloromethyl)-1-(oxan-4-ylmethyl)imidazole
CID 106720726
4-(chloromethyl)-1-(oxan-3-ylmethyl)imidazole
CID 130482826
(1-cyclopentylimidazol-4-yl)methanol
CID 130482080
N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 114204155
(1-cyclopropylimidazol-4-yl)methanol
CID 126974076
N-[[1-(2-cyclobutylethyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114204494
N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide
CID 106717486
[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol
CID 106717387
5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol
CID 106717483
1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol
CID 106717444

Frequently Asked Questions

What is the IUPAC name of [1-(cyclobutylmethyl)imidazol-4-yl]methanol?
The IUPAC name of [1-(cyclobutylmethyl)imidazol-4-yl]methanol (CID 130482091) is [1-(cyclobutylmethyl)imidazol-4-yl]methanol.
What is the SMILES notation for [1-(cyclobutylmethyl)imidazol-4-yl]methanol?
The canonical SMILES for [1-(cyclobutylmethyl)imidazol-4-yl]methanol is OCc1cn(CC2CCC2)cn1.
What is the InChIKey of [1-(cyclobutylmethyl)imidazol-4-yl]methanol?
The InChIKey is APIBNCXTFFWVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c12-6-9-5-11(7-10-9)4-8-2-1-3-8/h5,7-8,12H,1-4,6H2.
What are the key properties of [1-(cyclobutylmethyl)imidazol-4-yl]methanol?
[1-(cyclobutylmethyl)imidazol-4-yl]methanol has a molecular weight of 166.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclobutylmethyl)imidazol-4-yl]methanol is sourced from PubChem (CID 130482091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).