2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol

C12H18N2O3 — CID 167126129

IUPAC2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol
SMILESC=C(C)c1ncn(C2CC(O)C(CO)O2)c1C
InChIInChI=1S/C12H18N2O3/c1-7(2)12-8(3)14(6-13-12)11-4-9(16)10(5-15)17-11/h6,9-11,15-16H,1,4-5H2,2-3H3
InChIKeyASGOSCBADJNENF-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.87
Rot. Bonds3

About 2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol

2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol (PubChem CID 167126129) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol
PubChem CID167126129
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol
SMILESC=C(C)c1ncn(C2CC(O)C(CO)O2)c1C
InChIInChI=1S/C12H18N2O3/c1-7(2)12-8(3)14(6-13-12)11-4-9(16)10(5-15)17-11/h6,9-11,15-16H,1,4-5H2,2-3H3
InChIKeyASGOSCBADJNENF-UHFFFAOYSA-N
XLogP0.87
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;5-(4-ethyl-5-methylimidazol-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 176926407
5-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carbohydrazide
CID 10563073
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol
CID 71099696
(2R,3S,5R)-5-(4-amino-7-methylimidazo[4,5-c]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10934328
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
CID 14803552
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)-1,3,5-triazin-2-one
CID 123274852
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 70367096
6-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 131850230
5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 123259314
(2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 101413495
(2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide
CID 160626765

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol?
The IUPAC name of 2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol (CID 167126129) is 2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol is C=C(C)c1ncn(C2CC(O)C(CO)O2)c1C.
What is the InChIKey of 2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol?
The InChIKey is ASGOSCBADJNENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(2)12-8(3)14(6-13-12)11-4-9(16)10(5-15)17-11/h6,9-11,15-16H,1,4-5H2,2-3H3.
What are the key properties of 2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol?
2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol has a molecular weight of 238.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol is sourced from PubChem (CID 167126129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).