1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole

C14H10F2N2S — CID 105409270

IUPAC1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole
SMILESFc1cc(F)cc(Cn2ccnc2-c2cccs2)c1
InChIInChI=1S/C14H10F2N2S/c15-11-6-10(7-12(16)8-11)9-18-4-3-17-14(18)13-2-1-5-19-13/h1-8H,9H2
InChIKeyKWEZMYZFFSGAIK-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.94
Rot. Bonds3

About 1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole

1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole (PubChem CID 105409270) has the molecular formula C14H10F2N2S and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole
PubChem CID105409270
Molecular FormulaC14H10F2N2S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole
SMILESFc1cc(F)cc(Cn2ccnc2-c2cccs2)c1
InChIInChI=1S/C14H10F2N2S/c15-11-6-10(7-12(16)8-11)9-18-4-3-17-14(18)13-2-1-5-19-13/h1-8H,9H2
InChIKeyKWEZMYZFFSGAIK-UHFFFAOYSA-N
XLogP3.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]aniline
CID 112646317
1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 113353800
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 116621535
3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine
CID 104809193
N-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine
CID 55075721
1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 115917901
1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole
CID 115917911
3-fluoro-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]aniline
CID 63330992
1-[[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2-thiophen-2-ylimidazole
CID 113249598
1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 106869997
1-(4-fluorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanol
CID 109411319
2-methoxy-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]benzonitrile
CID 65344033

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole (CID 105409270) is 1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole is Fc1cc(F)cc(Cn2ccnc2-c2cccs2)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole?
The InChIKey is KWEZMYZFFSGAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2S/c15-11-6-10(7-12(16)8-11)9-18-4-3-17-14(18)13-2-1-5-19-13/h1-8H,9H2.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole?
1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole has a molecular weight of 276.31 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole is sourced from PubChem (CID 105409270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).