1-ethyl-3-methyl-2H-imidazole

C6H12N2 — CID 5245486

IUPAC1-ethyl-3-methyl-2H-imidazole
SMILESCCN1C=CN(C)C1
InChIInChI=1S/C6H12N2/c1-3-8-5-4-7(2)6-8/h4-5H,3,6H2,1-2H3
InChIKeyIBZJNLWLRUHZIX-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.68
Rot. Bonds1

About 1-ethyl-3-methyl-2H-imidazole

1-ethyl-3-methyl-2H-imidazole (PubChem CID 5245486) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-imidazole
PubChem CID5245486
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-ethyl-3-methyl-2H-imidazole
SMILESCCN1C=CN(C)C1
InChIInChI=1S/C6H12N2/c1-3-8-5-4-7(2)6-8/h4-5H,3,6H2,1-2H3
InChIKeyIBZJNLWLRUHZIX-UHFFFAOYSA-N
XLogP0.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2H-imidazole?
The IUPAC name of 1-ethyl-3-methyl-2H-imidazole (CID 5245486) is 1-ethyl-3-methyl-2H-imidazole.
What is the SMILES notation for 1-ethyl-3-methyl-2H-imidazole?
The canonical SMILES for 1-ethyl-3-methyl-2H-imidazole is CCN1C=CN(C)C1.
What is the InChIKey of 1-ethyl-3-methyl-2H-imidazole?
The InChIKey is IBZJNLWLRUHZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-8-5-4-7(2)6-8/h4-5H,3,6H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-2H-imidazole?
1-ethyl-3-methyl-2H-imidazole has a molecular weight of 112.18 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-imidazole is sourced from PubChem (CID 5245486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).