1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole

C12H20N4O — CID 158209948

IUPAC1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole
SMILESCCn1ccnc1C.COC(C)c1ncc[nH]1
InChIInChI=1S/C6H10N2O.C6H10N2/c1-5(9-2)6-7-3-4-8-6;1-3-8-5-4-7-6(8)2/h3-5H,1-2H3,(H,7,8);4-5H,3H2,1-2H3
InChIKeyGBYKGOFJOCKFPO-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.33
Rot. Bonds3

About 1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole

1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole (PubChem CID 158209948) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole.

Molecular Properties

Compound Name1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole
PubChem CID158209948
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole
SMILESCCn1ccnc1C.COC(C)c1ncc[nH]1
InChIInChI=1S/C6H10N2O.C6H10N2/c1-5(9-2)6-7-3-4-8-6;1-3-8-5-4-7-6(8)2/h3-5H,1-2H3,(H,7,8);4-5H,3H2,1-2H3
InChIKeyGBYKGOFJOCKFPO-UHFFFAOYSA-N
XLogP2.33
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole?
The IUPAC name of 1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole (CID 158209948) is 1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole.
What is the SMILES notation for 1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole?
The canonical SMILES for 1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole is CCn1ccnc1C.COC(C)c1ncc[nH]1.
What is the InChIKey of 1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole?
The InChIKey is GBYKGOFJOCKFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C6H10N2/c1-5(9-2)6-7-3-4-8-6;1-3-8-5-4-7-6(8)2/h3-5H,1-2H3,(H,7,8);4-5H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole?
1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole has a molecular weight of 236.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole is sourced from PubChem (CID 158209948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).