2-(4-fluorophenyl)-1-methylimidazole

C10H9FN2 — CID 55267743

IUPAC2-(4-fluorophenyl)-1-methylimidazole
SMILESCn1ccnc1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN2/c1-13-7-6-12-10(13)8-2-4-9(11)5-3-8/h2-7H,1H3
InChIKeyCNKALVLXLPJYIZ-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.23
Rot. Bonds1

About 2-(4-fluorophenyl)-1-methylimidazole

2-(4-fluorophenyl)-1-methylimidazole (PubChem CID 55267743) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-methylimidazole
PubChem CID55267743
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name2-(4-fluorophenyl)-1-methylimidazole
SMILESCn1ccnc1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN2/c1-13-7-6-12-10(13)8-2-4-9(11)5-3-8/h2-7H,1H3
InChIKeyCNKALVLXLPJYIZ-UHFFFAOYSA-N
XLogP2.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)-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 2-(4-fluorophenyl)-1-methylimidazole?
The IUPAC name of 2-(4-fluorophenyl)-1-methylimidazole (CID 55267743) is 2-(4-fluorophenyl)-1-methylimidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-1-methylimidazole?
The canonical SMILES for 2-(4-fluorophenyl)-1-methylimidazole is Cn1ccnc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-methylimidazole?
The InChIKey is CNKALVLXLPJYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-13-7-6-12-10(13)8-2-4-9(11)5-3-8/h2-7H,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-methylimidazole?
2-(4-fluorophenyl)-1-methylimidazole has a molecular weight of 176.19 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-methylimidazole is sourced from PubChem (CID 55267743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).