1-(ethoxymethyl)-2-methylimidazole

C7H12N2O — CID 13047403

IUPAC1-(ethoxymethyl)-2-methylimidazole
SMILESCCOCn1ccnc1C
InChIInChI=1S/C7H12N2O/c1-3-10-6-9-5-4-8-7(9)2/h4-5H,3,6H2,1-2H3
InChIKeyLDWOFMOIGPNEAD-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.19
Rot. Bonds3

About 1-(ethoxymethyl)-2-methylimidazole

1-(ethoxymethyl)-2-methylimidazole (PubChem CID 13047403) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(ethoxymethyl)-2-methylimidazole.

Molecular Properties

Compound Name1-(ethoxymethyl)-2-methylimidazole
PubChem CID13047403
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(ethoxymethyl)-2-methylimidazole
SMILESCCOCn1ccnc1C
InChIInChI=1S/C7H12N2O/c1-3-10-6-9-5-4-8-7(9)2/h4-5H,3,6H2,1-2H3
InChIKeyLDWOFMOIGPNEAD-UHFFFAOYSA-N
XLogP1.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-2-methylimidazole?
The IUPAC name of 1-(ethoxymethyl)-2-methylimidazole (CID 13047403) is 1-(ethoxymethyl)-2-methylimidazole.
What is the SMILES notation for 1-(ethoxymethyl)-2-methylimidazole?
The canonical SMILES for 1-(ethoxymethyl)-2-methylimidazole is CCOCn1ccnc1C.
What is the InChIKey of 1-(ethoxymethyl)-2-methylimidazole?
The InChIKey is LDWOFMOIGPNEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-10-6-9-5-4-8-7(9)2/h4-5H,3,6H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-2-methylimidazole?
1-(ethoxymethyl)-2-methylimidazole has a molecular weight of 140.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-2-methylimidazole is sourced from PubChem (CID 13047403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).