2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol

C7H15N2O+ — CID 22044309

IUPAC2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol
SMILESCC1=[N+](C)CCN1CCO
InChIInChI=1S/C7H15N2O/c1-7-8(2)3-4-9(7)5-6-10/h10H,3-6H2,1-2H3/q+1
InChIKeySIIQVJOJDRDXAJ-UHFFFAOYSA-N
MW143.21 g/mol
LogP-0.64
Rot. Bonds2

About 2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol

2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol (PubChem CID 22044309) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is 2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol
PubChem CID22044309
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Name2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol
SMILESCC1=[N+](C)CCN1CCO
InChIInChI=1S/C7H15N2O/c1-7-8(2)3-4-9(7)5-6-10/h10H,3-6H2,1-2H3/q+1
InChIKeySIIQVJOJDRDXAJ-UHFFFAOYSA-N
XLogP-0.64
TPSA26.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol?
The IUPAC name of 2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol (CID 22044309) is 2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol.
What is the SMILES notation for 2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol?
The canonical SMILES for 2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol is CC1=[N+](C)CCN1CCO.
What is the InChIKey of 2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol?
The InChIKey is SIIQVJOJDRDXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O/c1-7-8(2)3-4-9(7)5-6-10/h10H,3-6H2,1-2H3/q+1.
What are the key properties of 2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol?
2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol has a molecular weight of 143.21 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol is sourced from PubChem (CID 22044309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).