[2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate

C19H19FN2O2 — CID 2834173

IUPAC[2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate
SMILESCC(=O)ON1C(c2ccc(F)cc2)N=C(c2ccccc2)C1(C)C
InChIInChI=1S/C19H19FN2O2/c1-13(23)24-22-18(15-9-11-16(20)12-10-15)21-17(19(22,2)3)14-7-5-4-6-8-14/h4-12,18H,1-3H3
InChIKeyGRNHNEJADQFBGR-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.89
Rot. Bonds3

About [2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate

[2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate (PubChem CID 2834173) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate
PubChem CID2834173
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name[2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate
SMILESCC(=O)ON1C(c2ccc(F)cc2)N=C(c2ccccc2)C1(C)C
InChIInChI=1S/C19H19FN2O2/c1-13(23)24-22-18(15-9-11-16(20)12-10-15)21-17(19(22,2)3)14-7-5-4-6-8-14/h4-12,18H,1-3H3
InChIKeyGRNHNEJADQFBGR-UHFFFAOYSA-N
XLogP3.89
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate?
The IUPAC name of [2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate (CID 2834173) is [2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate?
The canonical SMILES for [2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate is CC(=O)ON1C(c2ccc(F)cc2)N=C(c2ccccc2)C1(C)C.
What is the InChIKey of [2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate?
The InChIKey is GRNHNEJADQFBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13(23)24-22-18(15-9-11-16(20)12-10-15)21-17(19(22,2)3)14-7-5-4-6-8-14/h4-12,18H,1-3H3.
What are the key properties of [2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate?
[2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate has a molecular weight of 326.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2H-imidazol-1-yl] acetate is sourced from PubChem (CID 2834173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).