3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one

C17H21FN2O2 — CID 18625652

IUPAC3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one
SMILESCC(C)C(O)(CCc1cccc(F)c1)CC(=O)n1ccnc1
InChIInChI=1S/C17H21FN2O2/c1-13(2)17(22,11-16(21)20-9-8-19-12-20)7-6-14-4-3-5-15(18)10-14/h3-5,8-10,12-13,22H,6-7,11H2,1-2H3
InChIKeyABFPEVHFNXELEA-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.07
Rot. Bonds6

About 3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one

3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one (PubChem CID 18625652) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one
PubChem CID18625652
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one
SMILESCC(C)C(O)(CCc1cccc(F)c1)CC(=O)n1ccnc1
InChIInChI=1S/C17H21FN2O2/c1-13(2)17(22,11-16(21)20-9-8-19-12-20)7-6-14-4-3-5-15(18)10-14/h3-5,8-10,12-13,22H,6-7,11H2,1-2H3
InChIKeyABFPEVHFNXELEA-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one?
The IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one (CID 18625652) is 3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one.
What is the SMILES notation for 3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one?
The canonical SMILES for 3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one is CC(C)C(O)(CCc1cccc(F)c1)CC(=O)n1ccnc1.
What is the InChIKey of 3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one?
The InChIKey is ABFPEVHFNXELEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-13(2)17(22,11-16(21)20-9-8-19-12-20)7-6-14-4-3-5-15(18)10-14/h3-5,8-10,12-13,22H,6-7,11H2,1-2H3.
What are the key properties of 3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one?
3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one has a molecular weight of 304.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)ethyl]-3-hydroxy-1-imidazol-1-yl-4-methylpentan-1-one is sourced from PubChem (CID 18625652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).