1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole

C10H6ClF3N2 — CID 125480274

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole
SMILESFC(F)(F)c1cc(-n2ccnc2)ccc1Cl
InChIInChI=1S/C10H6ClF3N2/c11-9-2-1-7(16-4-3-15-6-16)5-8(9)10(12,13)14/h1-6H
InChIKeyWUFLNTPOUXYKKO-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.54
Rot. Bonds1

About 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole

1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole (PubChem CID 125480274) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole
PubChem CID125480274
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole
SMILESFC(F)(F)c1cc(-n2ccnc2)ccc1Cl
InChIInChI=1S/C10H6ClF3N2/c11-9-2-1-7(16-4-3-15-6-16)5-8(9)10(12,13)14/h1-6H
InChIKeyWUFLNTPOUXYKKO-UHFFFAOYSA-N
XLogP3.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole (CID 125480274) is 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole is FC(F)(F)c1cc(-n2ccnc2)ccc1Cl.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole?
The InChIKey is WUFLNTPOUXYKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c11-9-2-1-7(16-4-3-15-6-16)5-8(9)10(12,13)14/h1-6H.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole?
1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole has a molecular weight of 246.62 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 125480274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).