1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole

C10H18N2O — CID 131203505

IUPAC1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole
SMILESCOC(C)(C)Cn1cnc(C)c1C
InChIInChI=1S/C10H18N2O/c1-8-9(2)12(7-11-8)6-10(3,4)13-5/h7H,6H2,1-5H3
InChIKeyVCAACODRRUOKGH-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.92
Rot. Bonds3

About 1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole

1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole (PubChem CID 131203505) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole
PubChem CID131203505
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole
SMILESCOC(C)(C)Cn1cnc(C)c1C
InChIInChI=1S/C10H18N2O/c1-8-9(2)12(7-11-8)6-10(3,4)13-5/h7H,6H2,1-5H3
InChIKeyVCAACODRRUOKGH-UHFFFAOYSA-N
XLogP1.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole (CID 131203505) is 1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole is COC(C)(C)Cn1cnc(C)c1C.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole?
The InChIKey is VCAACODRRUOKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-9(2)12(7-11-8)6-10(3,4)13-5/h7H,6H2,1-5H3.
What are the key properties of 1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole?
1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole has a molecular weight of 182.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)-4,5-dimethylimidazole is sourced from PubChem (CID 131203505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).