1-ethyl-2-methylimidazole

C6H10N2 — CID 519846

IUPAC1-ethyl-2-methylimidazole
SMILESCCn1ccnc1C
InChIInChI=1S/C6H10N2/c1-3-8-5-4-7-6(8)2/h4-5H,3H2,1-2H3
InChIKeyNYYVCPHBKQYINK-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.21
Rot. Bonds1

About 1-ethyl-2-methylimidazole

1-ethyl-2-methylimidazole (PubChem CID 519846) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-ethyl-2-methylimidazole.

Molecular Properties

Compound Name1-ethyl-2-methylimidazole
PubChem CID519846
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1-ethyl-2-methylimidazole
SMILESCCn1ccnc1C
InChIInChI=1S/C6H10N2/c1-3-8-5-4-7-6(8)2/h4-5H,3H2,1-2H3
InChIKeyNYYVCPHBKQYINK-UHFFFAOYSA-N
XLogP1.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-2-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylimidazole?
The IUPAC name of 1-ethyl-2-methylimidazole (CID 519846) is 1-ethyl-2-methylimidazole.
What is the SMILES notation for 1-ethyl-2-methylimidazole?
The canonical SMILES for 1-ethyl-2-methylimidazole is CCn1ccnc1C.
What is the InChIKey of 1-ethyl-2-methylimidazole?
The InChIKey is NYYVCPHBKQYINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-8-5-4-7-6(8)2/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methylimidazole?
1-ethyl-2-methylimidazole has a molecular weight of 110.16 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylimidazole is sourced from PubChem (CID 519846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).