2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride

C15H18ClN3O — CID 174919977

IUPAC2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride
SMILESCl.Cn1ccnc1CCO.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H10N2O.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;1-8-4-3-7-6(8)2-5-9;/h1-7H;3-4,9H,2,5H2,1H3;1H
InChIKeyFRNYRTIUSGYIAE-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.61
Rot. Bonds2

About 2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride

2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride (PubChem CID 174919977) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride
PubChem CID174919977
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride
SMILESCl.Cn1ccnc1CCO.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H10N2O.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;1-8-4-3-7-6(8)2-5-9;/h1-7H;3-4,9H,2,5H2,1H3;1H
InChIKeyFRNYRTIUSGYIAE-UHFFFAOYSA-N
XLogP2.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-1-ol;quinoline
CID 160910097
2-(1-methylimidazol-2-yl)ethanol;sulfuric acid
CID 90239240
ethane;methanol;quinoline
CID 90686502
quinoline;hydrochloride;hydroiodide
CID 161378453
quinoline
CID 76974643
2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline
CID 174828962
quinoline;tetramethylsilane
CID 91292784
1-ethenyl-2-undecylimidazole;quinoline
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osmium(2+);quinoline
CID 158407120
CID 159709187
CID 159709187
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride?
The IUPAC name of 2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride (CID 174919977) is 2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride?
The canonical SMILES for 2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride is Cl.Cn1ccnc1CCO.c1ccc2ncccc2c1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride?
The InChIKey is FRNYRTIUSGYIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C6H10N2O.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;1-8-4-3-7-6(8)2-5-9;/h1-7H;3-4,9H,2,5H2,1H3;1H.
What are the key properties of 2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride?
2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride is sourced from PubChem (CID 174919977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).