4-(3-chloro-5-fluorophenyl)-4H-imidazole

C9H6ClFN2 — CID 137374387

IUPAC4-(3-chloro-5-fluorophenyl)-4H-imidazole
SMILESFc1cc(Cl)cc(C2C=NC=N2)c1
InChIInChI=1S/C9H6ClFN2/c10-7-1-6(2-8(11)3-7)9-4-12-5-13-9/h1-5,9H
InChIKeyGTKHHPHDTHAUML-UHFFFAOYSA-N
MW196.61 g/mol
LogP2.63
Rot. Bonds1

About 4-(3-chloro-5-fluorophenyl)-4H-imidazole

4-(3-chloro-5-fluorophenyl)-4H-imidazole (PubChem CID 137374387) has the molecular formula C9H6ClFN2 and a molecular weight of 196.61 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenyl)-4H-imidazole.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenyl)-4H-imidazole
PubChem CID137374387
Molecular FormulaC9H6ClFN2
Molecular Weight196.61 g/mol
Exact Mass196.02
IUPAC Name4-(3-chloro-5-fluorophenyl)-4H-imidazole
SMILESFc1cc(Cl)cc(C2C=NC=N2)c1
InChIInChI=1S/C9H6ClFN2/c10-7-1-6(2-8(11)3-7)9-4-12-5-13-9/h1-5,9H
InChIKeyGTKHHPHDTHAUML-UHFFFAOYSA-N
XLogP2.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-chloro-5-fluorophenyl)-4H-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 4-(3-chloro-5-fluorophenyl)-4H-imidazole?
The IUPAC name of 4-(3-chloro-5-fluorophenyl)-4H-imidazole (CID 137374387) is 4-(3-chloro-5-fluorophenyl)-4H-imidazole.
What is the SMILES notation for 4-(3-chloro-5-fluorophenyl)-4H-imidazole?
The canonical SMILES for 4-(3-chloro-5-fluorophenyl)-4H-imidazole is Fc1cc(Cl)cc(C2C=NC=N2)c1.
What is the InChIKey of 4-(3-chloro-5-fluorophenyl)-4H-imidazole?
The InChIKey is GTKHHPHDTHAUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2/c10-7-1-6(2-8(11)3-7)9-4-12-5-13-9/h1-5,9H.
What are the key properties of 4-(3-chloro-5-fluorophenyl)-4H-imidazole?
4-(3-chloro-5-fluorophenyl)-4H-imidazole has a molecular weight of 196.61 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluorophenyl)-4H-imidazole is sourced from PubChem (CID 137374387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).