2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride

C6H12ClN3O — CID 157361722

IUPAC2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride
SMILESCc1cnc(N)n1CCO.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-5-4-8-6(7)9(5)2-3-10;/h4,10H,2-3H2,1H3,(H2,7,8);1H
InChIKeyBISHAKJFIVJWKF-UHFFFAOYSA-N
MW177.64 g/mol
LogP0.19
Rot. Bonds2

About 2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride

2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride (PubChem CID 157361722) has the molecular formula C6H12ClN3O and a molecular weight of 177.64 g/mol. Its IUPAC name is 2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride
PubChem CID157361722
Molecular FormulaC6H12ClN3O
Molecular Weight177.64 g/mol
Exact Mass177.07
IUPAC Name2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride
SMILESCc1cnc(N)n1CCO.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-5-4-8-6(7)9(5)2-3-10;/h4,10H,2-3H2,1H3,(H2,7,8);1H
InChIKeyBISHAKJFIVJWKF-UHFFFAOYSA-N
XLogP0.19
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.64
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
(1-methyl-1H-imidazol-5-yl)methanol
CID 2773450
Imidazole-1-ethanol, 5-ethyl-2-nitro-
CID 90178
1H-Imidazole-1-ethanol, 5-methyl-2-nitro-
CID 90177
Imidazole-1-ethanol, 4-methyl-2-nitro-
CID 90199
(1-(propan-2-yl)-1H-imidazol-5-yl)methanol
CID 20568531
[2-(dimethylamino)-1-methyl-1H-imidazol-5-yl]methanol
CID 64012368
1,5-dimethyl-1H-imidazol-2-amine hydrochloride
CID 12348472
(1,2-dimethyl-1H-imidazol-5-yl)methanol
CID 304328
(1-methyl-1H-imidazol-4-yl)methanol
CID 7060524
(1-Isobutyl-1H-imidazol-5-yl)methanol
CID 11686942

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride?
The IUPAC name of 2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride (CID 157361722) is 2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride is Cc1cnc(N)n1CCO.Cl.
What is the InChIKey of 2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride?
The InChIKey is BISHAKJFIVJWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.ClH/c1-5-4-8-6(7)9(5)2-3-10;/h4,10H,2-3H2,1H3,(H2,7,8);1H.
What are the key properties of 2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride?
2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride has a molecular weight of 177.64 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylimidazol-1-yl)ethanol;hydrochloride is sourced from PubChem (CID 157361722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).