1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole

C14H11FN2S — CID 75446464

IUPAC1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole
SMILESFc1cccc(Cn2ccnc2-c2cccs2)c1
InChIInChI=1S/C14H11FN2S/c15-12-4-1-3-11(9-12)10-17-7-6-16-14(17)13-5-2-8-18-13/h1-9H,10H2
InChIKeyXNGWHDXTBGAHIE-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.80
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole

1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole (PubChem CID 75446464) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole
PubChem CID75446464
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole
SMILESFc1cccc(Cn2ccnc2-c2cccs2)c1
InChIInChI=1S/C14H11FN2S/c15-12-4-1-3-11(9-12)10-17-7-6-16-14(17)13-5-2-8-18-13/h1-9H,10H2
InChIKeyXNGWHDXTBGAHIE-UHFFFAOYSA-N
XLogP3.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole 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 1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole (CID 75446464) is 1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole is Fc1cccc(Cn2ccnc2-c2cccs2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole?
The InChIKey is XNGWHDXTBGAHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c15-12-4-1-3-11(9-12)10-17-7-6-16-14(17)13-5-2-8-18-13/h1-9H,10H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole?
1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole has a molecular weight of 258.32 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazole is sourced from PubChem (CID 75446464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).