2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride

C5H11ClN2O — CID 57454619

IUPAC2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride
SMILESOCC[NH+]1C=NCC1.[Cl-]
InChIInChI=1S/C5H10N2O.ClH/c8-4-3-7-2-1-6-5-7;/h5,8H,1-4H2;1H
InChIKeyWCRDEBWGJPQSIW-UHFFFAOYSA-N
MW150.61 g/mol
LogP-5.09
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride

2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride (PubChem CID 57454619) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride
PubChem CID57454619
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC Name2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride
SMILESOCC[NH+]1C=NCC1.[Cl-]
InChIInChI=1S/C5H10N2O.ClH/c8-4-3-7-2-1-6-5-7;/h5,8H,1-4H2;1H
InChIKeyWCRDEBWGJPQSIW-UHFFFAOYSA-N
XLogP-5.09
TPSA37.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 5-5.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride (CID 57454619) is 2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride is OCC[NH+]1C=NCC1.[Cl-].
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride?
The InChIKey is WCRDEBWGJPQSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.ClH/c8-4-3-7-2-1-6-5-7;/h5,8H,1-4H2;1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride?
2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride has a molecular weight of 150.61 g/mol, XLogP of -5.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride is sourced from PubChem (CID 57454619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).