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

C7H15N2O+ — CID 23026393

IUPAC1-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol
SMILESCC1=[N+](C)CCN1C(C)O
InChIInChI=1S/C7H15N2O/c1-6-8(3)4-5-9(6)7(2)10/h7,10H,4-5H2,1-3H3/q+1
InChIKeyZOQXROQTAPTQGW-UHFFFAOYSA-N
MW143.21 g/mol
LogP-0.30
Rot. Bonds1

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

1-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol (PubChem CID 23026393) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol
PubChem CID23026393
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Name1-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol
SMILESCC1=[N+](C)CCN1C(C)O
InChIInChI=1S/C7H15N2O/c1-6-8(3)4-5-9(6)7(2)10/h7,10H,4-5H2,1-3H3/q+1
InChIKeyZOQXROQTAPTQGW-UHFFFAOYSA-N
XLogP-0.30
TPSA26.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-0.30
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 1-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol?
The IUPAC name of 1-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol (CID 23026393) is 1-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol.
What is the SMILES notation for 1-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol?
The canonical SMILES for 1-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol is CC1=[N+](C)CCN1C(C)O.
What is the InChIKey of 1-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol?
The InChIKey is ZOQXROQTAPTQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O/c1-6-8(3)4-5-9(6)7(2)10/h7,10H,4-5H2,1-3H3/q+1.
What are the key properties of 1-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol?
1-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol has a molecular weight of 143.21 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol is sourced from PubChem (CID 23026393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).