2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole

C10H6ClF3N2 — CID 174409445

IUPAC2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole
SMILESFC(F)(F)C1(c2ccc(Cl)cc2)N=CC=N1
InChIInChI=1S/C10H6ClF3N2/c11-8-3-1-7(2-4-8)9(10(12,13)14)15-5-6-16-9/h1-6H
InChIKeyIZQKSKJBZDJLPE-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.21
Rot. Bonds1

About 2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole

2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole (PubChem CID 174409445) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole
PubChem CID174409445
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole
SMILESFC(F)(F)C1(c2ccc(Cl)cc2)N=CC=N1
InChIInChI=1S/C10H6ClF3N2/c11-8-3-1-7(2-4-8)9(10(12,13)14)15-5-6-16-9/h1-6H
InChIKeyIZQKSKJBZDJLPE-UHFFFAOYSA-N
XLogP3.21
TPSA24.72 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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole?
The IUPAC name of 2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole (CID 174409445) is 2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole is FC(F)(F)C1(c2ccc(Cl)cc2)N=CC=N1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole?
The InChIKey is IZQKSKJBZDJLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c11-8-3-1-7(2-4-8)9(10(12,13)14)15-5-6-16-9/h1-6H.
What are the key properties of 2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole?
2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole has a molecular weight of 246.62 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 174409445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).