2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride

C6H11ClN2O2 — CID 139022436

IUPAC2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride
SMILESCl.OCCn1ccnc1CO
InChIInChI=1S/C6H10N2O2.ClH/c9-4-3-8-2-1-7-6(8)5-10;/h1-2,9-10H,3-5H2;1H
InChIKeyQLDDJJBDRLFSDZ-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.21
Rot. Bonds3

About 2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride

2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride (PubChem CID 139022436) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride
PubChem CID139022436
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride
SMILESCl.OCCn1ccnc1CO
InChIInChI=1S/C6H10N2O2.ClH/c9-4-3-8-2-1-7-6(8)5-10;/h1-2,9-10H,3-5H2;1H
InChIKeyQLDDJJBDRLFSDZ-UHFFFAOYSA-N
XLogP-0.21
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Metronidazole
CID 4173
Hydroxymetronidazole
CID 121858
Metronidazole Hydrochloride
CID 68592
Isometronidazole
CID 69715
2-Hydroxymethyl-1-methyl-5-nitroimidazole
CID 557356
alpha-methyl-1H-imidazole-1-ethanol
CID 109233
4-(1H-imidazol-1-yl)butan-1-ol
CID 12803319
2-Methyl-1H-imidazole-1-ethanol
CID 74169
(2-Methyl-imidazol-1-yl)-acetic acid
CID 650088
1-(2-Hydroxyethyl)-3-methylimidazolium tetrafluoroborate
CID 11344909
N-(2-Hydroxyethyl)imidazole
CID 74168
(1-methyl-1H-imidazol-2-yl)methanol
CID 573612

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride (CID 139022436) is 2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride is Cl.OCCn1ccnc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride?
The InChIKey is QLDDJJBDRLFSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.ClH/c9-4-3-8-2-1-7-6(8)5-10;/h1-2,9-10H,3-5H2;1H.
What are the key properties of 2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride?
2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)imidazol-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 139022436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).