[5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone

C19H17FN2O — CID 21497399

IUPAC[5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone
SMILESCC(C)c1cncn1-c1ccc(F)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H17FN2O/c1-13(2)18-11-21-12-22(18)17-9-8-15(20)10-16(17)19(23)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyFYKVOVUJLHFZBS-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.37
Rot. Bonds4

About [5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone

[5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone (PubChem CID 21497399) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is [5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone
PubChem CID21497399
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name[5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone
SMILESCC(C)c1cncn1-c1ccc(F)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H17FN2O/c1-13(2)18-11-21-12-22(18)17-9-8-15(20)10-16(17)19(23)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyFYKVOVUJLHFZBS-UHFFFAOYSA-N
XLogP4.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone?
The IUPAC name of [5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone (CID 21497399) is [5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone?
The canonical SMILES for [5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone is CC(C)c1cncn1-c1ccc(F)cc1C(=O)c1ccccc1.
What is the InChIKey of [5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone?
The InChIKey is FYKVOVUJLHFZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-13(2)18-11-21-12-22(18)17-9-8-15(20)10-16(17)19(23)14-6-4-3-5-7-14/h3-13H,1-2H3.
What are the key properties of [5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone?
[5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone has a molecular weight of 308.36 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(5-propan-2-ylimidazol-1-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 21497399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).