2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole

C9H4F4N2 — CID 83402165

IUPAC2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole
SMILESFc1cc(F)c(F)c(-c2ncc[nH]2)c1F
InChIInChI=1S/C9H4F4N2/c10-4-3-5(11)8(13)6(7(4)12)9-14-1-2-15-9/h1-3H,(H,14,15)
InChIKeyLNDQPDKITAEMIX-UHFFFAOYSA-N
MW216.14 g/mol
LogP2.63
Rot. Bonds1

About 2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole

2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole (PubChem CID 83402165) has the molecular formula C9H4F4N2 and a molecular weight of 216.14 g/mol. Its IUPAC name is 2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole
PubChem CID83402165
Molecular FormulaC9H4F4N2
Molecular Weight216.14 g/mol
Exact Mass216.03
IUPAC Name2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole
SMILESFc1cc(F)c(F)c(-c2ncc[nH]2)c1F
InChIInChI=1S/C9H4F4N2/c10-4-3-5(11)8(13)6(7(4)12)9-14-1-2-15-9/h1-3H,(H,14,15)
InChIKeyLNDQPDKITAEMIX-UHFFFAOYSA-N
XLogP2.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
2,6-difluoro-4-(1H-imidazol-2-yl)-N-methylaniline
CID 174721174
chlorosilver;2-(2,4,6-trimethylphenyl)-1H-imidazole
CID 174760743
4-fluoro-3-(1H-imidazol-2-yl)benzonitrile
CID 55267742
2-(3-fluoro-2-methylphenyl)-1H-imidazole
CID 55254600
2-(2,4,6-trimethylphenyl)-1H-imidazole;1,2-xylene
CID 175460608
2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine
CID 55266332
2-(2,5-dichlorophenyl)-1H-imidazole
CID 67618991
2-[2,3-dibromo-6-(1H-imidazol-2-yl)phenyl]-1H-imidazole
CID 125475669
2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone
CID 55160397
2-bromo-4-fluoro-6-(1H-imidazol-2-yl)phenol
CID 137216868
2-(2-ethenyl-4-fluorophenyl)-1H-imidazole
CID 123208987

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole?
The IUPAC name of 2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole (CID 83402165) is 2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole.
What is the SMILES notation for 2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole?
The canonical SMILES for 2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole is Fc1cc(F)c(F)c(-c2ncc[nH]2)c1F.
What is the InChIKey of 2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole?
The InChIKey is LNDQPDKITAEMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N2/c10-4-3-5(11)8(13)6(7(4)12)9-14-1-2-15-9/h1-3H,(H,14,15).
What are the key properties of 2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole?
2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole has a molecular weight of 216.14 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole is sourced from PubChem (CID 83402165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).