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

C6H10N2O2 — CID 541487

IUPAC[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol
SMILESCc1[nH]c(CO)nc1CO
InChIInChI=1S/C6H10N2O2/c1-4-5(2-9)8-6(3-10)7-4/h9-10H,2-3H2,1H3,(H,7,8)
InChIKeyHKASFVOPVDSVMR-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.30
Rot. Bonds2

About [2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol

[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol (PubChem CID 541487) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol
PubChem CID541487
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol
SMILESCc1[nH]c(CO)nc1CO
InChIInChI=1S/C6H10N2O2/c1-4-5(2-9)8-6(3-10)7-4/h9-10H,2-3H2,1H3,(H,7,8)
InChIKeyHKASFVOPVDSVMR-UHFFFAOYSA-N
XLogP-0.30
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol (CID 541487) is [2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol is Cc1[nH]c(CO)nc1CO.
What is the InChIKey of [2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol?
The InChIKey is HKASFVOPVDSVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4-5(2-9)8-6(3-10)7-4/h9-10H,2-3H2,1H3,(H,7,8).
What are the key properties of [2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol?
[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol has a molecular weight of 142.16 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol is sourced from PubChem (CID 541487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).