[5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone

C17H12ClFN2O — CID 21497352

IUPAC[5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone
SMILESCc1cncn1-c1ccc(Cl)cc1C(=O)c1ccccc1F
InChIInChI=1S/C17H12ClFN2O/c1-11-9-20-10-21(11)16-7-6-12(18)8-14(16)17(22)13-4-2-3-5-15(13)19/h2-10H,1H3
InChIKeyFTNATJWGJDWTID-UHFFFAOYSA-N
MW314.75 g/mol
LogP4.20
Rot. Bonds3

About [5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone

[5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone (PubChem CID 21497352) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is [5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone
PubChem CID21497352
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name[5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone
SMILESCc1cncn1-c1ccc(Cl)cc1C(=O)c1ccccc1F
InChIInChI=1S/C17H12ClFN2O/c1-11-9-20-10-21(11)16-7-6-12(18)8-14(16)17(22)13-4-2-3-5-15(13)19/h2-10H,1H3
InChIKeyFTNATJWGJDWTID-UHFFFAOYSA-N
XLogP4.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone?
The IUPAC name of [5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone (CID 21497352) is [5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone?
The canonical SMILES for [5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone is Cc1cncn1-c1ccc(Cl)cc1C(=O)c1ccccc1F.
What is the InChIKey of [5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone?
The InChIKey is FTNATJWGJDWTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c1-11-9-20-10-21(11)16-7-6-12(18)8-14(16)17(22)13-4-2-3-5-15(13)19/h2-10H,1H3.
What are the key properties of [5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone?
[5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone has a molecular weight of 314.75 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(5-methylimidazol-1-yl)phenyl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 21497352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).