3-ethyl-2-methyl-1,2-dihydroimidazole

C6H12N2 — CID 21079514

IUPAC3-ethyl-2-methyl-1,2-dihydroimidazole
SMILESCCN1C=CNC1C
InChIInChI=1S/C6H12N2/c1-3-8-5-4-7-6(8)2/h4-7H,3H2,1-2H3
InChIKeyBOFJDEZBZVJLQY-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.73
Rot. Bonds1

About 3-ethyl-2-methyl-1,2-dihydroimidazole

3-ethyl-2-methyl-1,2-dihydroimidazole (PubChem CID 21079514) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3-ethyl-2-methyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-ethyl-2-methyl-1,2-dihydroimidazole
PubChem CID21079514
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3-ethyl-2-methyl-1,2-dihydroimidazole
SMILESCCN1C=CNC1C
InChIInChI=1S/C6H12N2/c1-3-8-5-4-7-6(8)2/h4-7H,3H2,1-2H3
InChIKeyBOFJDEZBZVJLQY-UHFFFAOYSA-N
XLogP0.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-1,2-dihydroimidazole?
The IUPAC name of 3-ethyl-2-methyl-1,2-dihydroimidazole (CID 21079514) is 3-ethyl-2-methyl-1,2-dihydroimidazole.
What is the SMILES notation for 3-ethyl-2-methyl-1,2-dihydroimidazole?
The canonical SMILES for 3-ethyl-2-methyl-1,2-dihydroimidazole is CCN1C=CNC1C.
What is the InChIKey of 3-ethyl-2-methyl-1,2-dihydroimidazole?
The InChIKey is BOFJDEZBZVJLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-8-5-4-7-6(8)2/h4-7H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-1,2-dihydroimidazole?
3-ethyl-2-methyl-1,2-dihydroimidazole has a molecular weight of 112.18 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-1,2-dihydroimidazole is sourced from PubChem (CID 21079514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).