2-(2-methoxypropan-2-yl)-1H-imidazole

C7H12N2O — CID 55287404

IUPAC2-(2-methoxypropan-2-yl)-1H-imidazole
SMILESCOC(C)(C)c1ncc[nH]1
InChIInChI=1S/C7H12N2O/c1-7(2,10-3)6-8-4-5-9-6/h4-5H,1-3H3,(H,8,9)
InChIKeyWLKNIQPGGAAPJL-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.29
Rot. Bonds2

About 2-(2-methoxypropan-2-yl)-1H-imidazole

2-(2-methoxypropan-2-yl)-1H-imidazole (PubChem CID 55287404) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)-1H-imidazole
PubChem CID55287404
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(2-methoxypropan-2-yl)-1H-imidazole
SMILESCOC(C)(C)c1ncc[nH]1
InChIInChI=1S/C7H12N2O/c1-7(2,10-3)6-8-4-5-9-6/h4-5H,1-3H3,(H,8,9)
InChIKeyWLKNIQPGGAAPJL-UHFFFAOYSA-N
XLogP1.29
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)-1H-imidazole?
The IUPAC name of 2-(2-methoxypropan-2-yl)-1H-imidazole (CID 55287404) is 2-(2-methoxypropan-2-yl)-1H-imidazole.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)-1H-imidazole?
The canonical SMILES for 2-(2-methoxypropan-2-yl)-1H-imidazole is COC(C)(C)c1ncc[nH]1.
What is the InChIKey of 2-(2-methoxypropan-2-yl)-1H-imidazole?
The InChIKey is WLKNIQPGGAAPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(2,10-3)6-8-4-5-9-6/h4-5H,1-3H3,(H,8,9).
What are the key properties of 2-(2-methoxypropan-2-yl)-1H-imidazole?
2-(2-methoxypropan-2-yl)-1H-imidazole has a molecular weight of 140.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)-1H-imidazole is sourced from PubChem (CID 55287404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).