1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone

C15H17FN2O — CID 79744097

IUPAC1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1cc(F)ccc1C
InChIInChI=1S/C15H17FN2O/c1-3-7-18-8-6-17-15(18)10-14(19)13-9-12(16)5-4-11(13)2/h4-6,8-9H,3,7,10H2,1-2H3
InChIKeyKQOSBZLVNIBQKG-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.17
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone

1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone (PubChem CID 79744097) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone
PubChem CID79744097
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1cc(F)ccc1C
InChIInChI=1S/C15H17FN2O/c1-3-7-18-8-6-17-15(18)10-14(19)13-9-12(16)5-4-11(13)2/h4-6,8-9H,3,7,10H2,1-2H3
InChIKeyKQOSBZLVNIBQKG-UHFFFAOYSA-N
XLogP3.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274194
1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784740
1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744738
1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784716
1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone
CID 115784838
1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784828
1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115580335
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79751631
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784791
(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine
CID 63048979

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone (CID 79744097) is 1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1CC(=O)c1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone?
The InChIKey is KQOSBZLVNIBQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-3-7-18-8-6-17-15(18)10-14(19)13-9-12(16)5-4-11(13)2/h4-6,8-9H,3,7,10H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone?
1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone has a molecular weight of 260.31 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 79744097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).