[4-(hydroxymethyl)-1H-imidazol-5-yl]methanol

C5H8N2O2 — CID 573629

IUPAC[4-(hydroxymethyl)-1H-imidazol-5-yl]methanol
SMILESOCc1nc[nH]c1CO
InChIInChI=1S/C5H8N2O2/c8-1-4-5(2-9)7-3-6-4/h3,8-9H,1-2H2,(H,6,7)
InChIKeyAGJXDKGTTMVHOU-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.61
Rot. Bonds2

About [4-(hydroxymethyl)-1H-imidazol-5-yl]methanol

[4-(hydroxymethyl)-1H-imidazol-5-yl]methanol (PubChem CID 573629) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1H-imidazol-5-yl]methanol
PubChem CID573629
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name[4-(hydroxymethyl)-1H-imidazol-5-yl]methanol
SMILESOCc1nc[nH]c1CO
InChIInChI=1S/C5H8N2O2/c8-1-4-5(2-9)7-3-6-4/h3,8-9H,1-2H2,(H,6,7)
InChIKeyAGJXDKGTTMVHOU-UHFFFAOYSA-N
XLogP-0.61
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-1H-imidazol-5-yl]methanol (CID 573629) is [4-(hydroxymethyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-1H-imidazol-5-yl]methanol is OCc1nc[nH]c1CO.
What is the InChIKey of [4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
The InChIKey is AGJXDKGTTMVHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c8-1-4-5(2-9)7-3-6-4/h3,8-9H,1-2H2,(H,6,7).
What are the key properties of [4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
[4-(hydroxymethyl)-1H-imidazol-5-yl]methanol has a molecular weight of 128.13 g/mol, XLogP of -0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 573629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).