4-ethyl-2-ethynyl-5-methyl-1H-imidazole

C8H10N2 — CID 90967772

IUPAC4-ethyl-2-ethynyl-5-methyl-1H-imidazole
SMILESC#Cc1nc(CC)c(C)[nH]1
InChIInChI=1S/C8H10N2/c1-4-7-6(3)9-8(5-2)10-7/h2H,4H2,1,3H3,(H,9,10)
InChIKeyAEPSZIVRKPAQBH-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.26
Rot. Bonds1

About 4-ethyl-2-ethynyl-5-methyl-1H-imidazole

4-ethyl-2-ethynyl-5-methyl-1H-imidazole (PubChem CID 90967772) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4-ethyl-2-ethynyl-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-ethyl-2-ethynyl-5-methyl-1H-imidazole
PubChem CID90967772
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4-ethyl-2-ethynyl-5-methyl-1H-imidazole
SMILESC#Cc1nc(CC)c(C)[nH]1
InChIInChI=1S/C8H10N2/c1-4-7-6(3)9-8(5-2)10-7/h2H,4H2,1,3H3,(H,9,10)
InChIKeyAEPSZIVRKPAQBH-UHFFFAOYSA-N
XLogP1.26
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-ethynyl-5-methyl-1H-imidazole?
The IUPAC name of 4-ethyl-2-ethynyl-5-methyl-1H-imidazole (CID 90967772) is 4-ethyl-2-ethynyl-5-methyl-1H-imidazole.
What is the SMILES notation for 4-ethyl-2-ethynyl-5-methyl-1H-imidazole?
The canonical SMILES for 4-ethyl-2-ethynyl-5-methyl-1H-imidazole is C#Cc1nc(CC)c(C)[nH]1.
What is the InChIKey of 4-ethyl-2-ethynyl-5-methyl-1H-imidazole?
The InChIKey is AEPSZIVRKPAQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-4-7-6(3)9-8(5-2)10-7/h2H,4H2,1,3H3,(H,9,10).
What are the key properties of 4-ethyl-2-ethynyl-5-methyl-1H-imidazole?
4-ethyl-2-ethynyl-5-methyl-1H-imidazole has a molecular weight of 134.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-ethynyl-5-methyl-1H-imidazole is sourced from PubChem (CID 90967772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).