2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole

C8H13FN2 — CID 141429576

IUPAC2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole
SMILESCCc1nc(C(C)F)c(C)[nH]1
InChIInChI=1S/C8H13FN2/c1-4-7-10-6(3)8(11-7)5(2)9/h5H,4H2,1-3H3,(H,10,11)
InChIKeyFGQOOLCZGZXHLC-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.31
Rot. Bonds2

About 2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole

2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole (PubChem CID 141429576) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole
PubChem CID141429576
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole
SMILESCCc1nc(C(C)F)c(C)[nH]1
InChIInChI=1S/C8H13FN2/c1-4-7-10-6(3)8(11-7)5(2)9/h5H,4H2,1-3H3,(H,10,11)
InChIKeyFGQOOLCZGZXHLC-UHFFFAOYSA-N
XLogP2.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole 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 2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole?
The IUPAC name of 2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole (CID 141429576) is 2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole.
What is the SMILES notation for 2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole?
The canonical SMILES for 2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole is CCc1nc(C(C)F)c(C)[nH]1.
What is the InChIKey of 2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole?
The InChIKey is FGQOOLCZGZXHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-4-7-10-6(3)8(11-7)5(2)9/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole?
2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole has a molecular weight of 156.20 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole is sourced from PubChem (CID 141429576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).