2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride

C9H19ClN2O — CID 57350019

IUPAC2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride
SMILESCCCC[NH+]1C=CN(CCO)C1.[Cl-]
InChIInChI=1S/C9H18N2O.ClH/c1-2-3-4-10-5-6-11(9-10)7-8-12;/h5-6,12H,2-4,7-9H2,1H3;1H
InChIKeyMGZFKCKWIRPETH-UHFFFAOYSA-N
MW206.72 g/mol
LogP-3.59
Rot. Bonds5

About 2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride

2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride (PubChem CID 57350019) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride.

Molecular Properties

Compound Name2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride
PubChem CID57350019
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride
SMILESCCCC[NH+]1C=CN(CCO)C1.[Cl-]
InChIInChI=1S/C9H18N2O.ClH/c1-2-3-4-10-5-6-11(9-10)7-8-12;/h5-6,12H,2-4,7-9H2,1H3;1H
InChIKeyMGZFKCKWIRPETH-UHFFFAOYSA-N
XLogP-3.59
TPSA27.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 5-3.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Methyl-1,2-dihydroimidazol-3-yl)ethanol
CID 14671025
2-(3-butyl-2H-imidazol-1-yl)ethanol
CID 52911375
1-(3-Hydroxypropyl)-3-methyl-2,3-dihydro-1H-imidazol-1-ium chloride
CID 57349220
1H-Imidazolium, 1-(2-hydroxyethyl)-3-methyl-, chloride
CID 57351560
4-(3-Methyl-1,2-dihydroimidazol-1-ium-1-yl)butan-1-ol chloride
CID 67523406
2-(3-Methyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol iodide
CID 67523569
2-(3-propyl-2H-imidazol-1-yl)ethanol
CID 68799972
1-(2-Hydroxyethyl)-3-methyl-2,3-dihydro-1H-imidazol-1-ium bromide
CID 71331688
1-Butyl-3-(2-hydroxyethyl)-2,3-dihydro-1H-imidazol-1-ium bromide
CID 71406276
2-(1-Ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride
CID 86017622
1-[[(3-Amino-2-hydroxypropyl)-ethenylamino]methyl-ethenylamino]butan-2-ol
CID 88440304
1-Amino-3-[ethenyl(methylaminomethyl)amino]propan-2-ol
CID 88440966

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride?
The IUPAC name of 2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride (CID 57350019) is 2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride.
What is the SMILES notation for 2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride?
The canonical SMILES for 2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride is CCCC[NH+]1C=CN(CCO)C1.[Cl-].
What is the InChIKey of 2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride?
The InChIKey is MGZFKCKWIRPETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-2-3-4-10-5-6-11(9-10)7-8-12;/h5-6,12H,2-4,7-9H2,1H3;1H.
What are the key properties of 2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride?
2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride has a molecular weight of 206.72 g/mol, XLogP of -3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride is sourced from PubChem (CID 57350019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).