[1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate

C19H25FN2O3 — CID 21320007

IUPAC[1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)OC(C(Oc1ccc(F)cc1)n1ccnc1)C(C)(C)C
InChIInChI=1S/C19H25FN2O3/c1-13(2)18(23)25-16(19(3,4)5)17(22-11-10-21-12-22)24-15-8-6-14(20)7-9-15/h6-13,16-17H,1-5H3
InChIKeyVBIITMLWOUXFOL-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.21
Rot. Bonds6

About [1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate

[1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate (PubChem CID 21320007) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is [1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate
PubChem CID21320007
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name[1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)OC(C(Oc1ccc(F)cc1)n1ccnc1)C(C)(C)C
InChIInChI=1S/C19H25FN2O3/c1-13(2)18(23)25-16(19(3,4)5)17(22-11-10-21-12-22)24-15-8-6-14(20)7-9-15/h6-13,16-17H,1-5H3
InChIKeyVBIITMLWOUXFOL-UHFFFAOYSA-N
XLogP4.21
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate?
The IUPAC name of [1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate (CID 21320007) is [1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate.
What is the SMILES notation for [1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate?
The canonical SMILES for [1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate is CC(C)C(=O)OC(C(Oc1ccc(F)cc1)n1ccnc1)C(C)(C)C.
What is the InChIKey of [1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate?
The InChIKey is VBIITMLWOUXFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-13(2)18(23)25-16(19(3,4)5)17(22-11-10-21-12-22)24-15-8-6-14(20)7-9-15/h6-13,16-17H,1-5H3.
What are the key properties of [1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate?
[1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate has a molecular weight of 348.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] 2-methylpropanoate is sourced from PubChem (CID 21320007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).