4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole

C13H15FN2 — CID 146634880

IUPAC4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole
SMILESCC(C)c1cccc(-c2cn(C)cn2)c1F
InChIInChI=1S/C13H15FN2/c1-9(2)10-5-4-6-11(13(10)14)12-7-16(3)8-15-12/h4-9H,1-3H3
InChIKeyJNKSWFKQMIBVHK-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.35
Rot. Bonds2

About 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole

4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole (PubChem CID 146634880) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole.

Molecular Properties

Compound Name4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole
PubChem CID146634880
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole
SMILESCC(C)c1cccc(-c2cn(C)cn2)c1F
InChIInChI=1S/C13H15FN2/c1-9(2)10-5-4-6-11(13(10)14)12-7-16(3)8-15-12/h4-9H,1-3H3
InChIKeyJNKSWFKQMIBVHK-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-fluoro-3-propan-2-ylphenyl)-1-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 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole?
The IUPAC name of 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole (CID 146634880) is 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole.
What is the SMILES notation for 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole?
The canonical SMILES for 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole is CC(C)c1cccc(-c2cn(C)cn2)c1F.
What is the InChIKey of 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole?
The InChIKey is JNKSWFKQMIBVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-9(2)10-5-4-6-11(13(10)14)12-7-16(3)8-15-12/h4-9H,1-3H3.
What are the key properties of 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole?
4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole has a molecular weight of 218.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole is sourced from PubChem (CID 146634880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).