1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone

C17H13FN2O — CID 172808427

IUPAC1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cnc(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C17H13FN2O/c1-11(21)12-2-4-13(5-3-12)16-10-19-17(20-16)14-6-8-15(18)9-7-14/h2-10H,1H3,(H,19,20)
InChIKeyRVIPQHVLDZFGQG-UHFFFAOYSA-N
MW280.30 g/mol
LogP4.09
Rot. Bonds3

About 1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone

1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone (PubChem CID 172808427) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone
PubChem CID172808427
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cnc(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C17H13FN2O/c1-11(21)12-2-4-13(5-3-12)16-10-19-17(20-16)14-6-8-15(18)9-7-14/h2-10H,1H3,(H,19,20)
InChIKeyRVIPQHVLDZFGQG-UHFFFAOYSA-N
XLogP4.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone (CID 172808427) is 1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone is CC(=O)c1ccc(-c2cnc(-c3ccc(F)cc3)[nH]2)cc1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone?
The InChIKey is RVIPQHVLDZFGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-11(21)12-2-4-13(5-3-12)16-10-19-17(20-16)14-6-8-15(18)9-7-14/h2-10H,1H3,(H,19,20).
What are the key properties of 1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone?
1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone has a molecular weight of 280.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone is sourced from PubChem (CID 172808427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).