2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole

C9H14N2O — CID 146259099

IUPAC2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole
SMILESCOCC1CC1c1ncc(C)[nH]1
InChIInChI=1S/C9H14N2O/c1-6-4-10-9(11-6)8-3-7(8)5-12-2/h4,7-8H,3,5H2,1-2H3,(H,10,11)
InChIKeyXOFSOECHZZVXIR-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.47
Rot. Bonds3

About 2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole

2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole (PubChem CID 146259099) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole
PubChem CID146259099
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole
SMILESCOCC1CC1c1ncc(C)[nH]1
InChIInChI=1S/C9H14N2O/c1-6-4-10-9(11-6)8-3-7(8)5-12-2/h4,7-8H,3,5H2,1-2H3,(H,10,11)
InChIKeyXOFSOECHZZVXIR-UHFFFAOYSA-N
XLogP1.47
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole?
The IUPAC name of 2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole (CID 146259099) is 2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole.
What is the SMILES notation for 2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole?
The canonical SMILES for 2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole is COCC1CC1c1ncc(C)[nH]1.
What is the InChIKey of 2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole?
The InChIKey is XOFSOECHZZVXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-4-10-9(11-6)8-3-7(8)5-12-2/h4,7-8H,3,5H2,1-2H3,(H,10,11).
What are the key properties of 2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole?
2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole has a molecular weight of 166.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole is sourced from PubChem (CID 146259099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).