2-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium

C6H13N2O+ — CID 54389157

IUPAC2-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium
SMILESCOC1=[N+](C)CCN1C
InChIInChI=1S/C6H13N2O/c1-7-4-5-8(2)6(7)9-3/h4-5H2,1-3H3/q+1
InChIKeyZIISNHBQLNKLHL-UHFFFAOYSA-N
MW129.18 g/mol
LogP-0.42
Rot. Bonds

About 2-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium

2-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium (PubChem CID 54389157) has the molecular formula C6H13N2O+ and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name2-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium
PubChem CID54389157
Molecular FormulaC6H13N2O+
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name2-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium
SMILESCOC1=[N+](C)CCN1C
InChIInChI=1S/C6H13N2O/c1-7-4-5-8(2)6(7)9-3/h4-5H2,1-3H3/q+1
InChIKeyZIISNHBQLNKLHL-UHFFFAOYSA-N
XLogP-0.42
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
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-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium?
The IUPAC name of 2-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium (CID 54389157) is 2-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 2-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 2-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium is COC1=[N+](C)CCN1C.
What is the InChIKey of 2-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium?
The InChIKey is ZIISNHBQLNKLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2O/c1-7-4-5-8(2)6(7)9-3/h4-5H2,1-3H3/q+1.
What are the key properties of 2-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium?
2-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium has a molecular weight of 129.18 g/mol, XLogP of -0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 54389157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).