1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one

C13H15FN2O — CID 116624763

IUPAC1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2ccccc2F)c1=O
InChIInChI=1S/C13H15FN2O/c1-2-7-15-8-9-16(13(15)17)10-11-5-3-4-6-12(11)14/h3-6,8-9H,2,7,10H2,1H3
InChIKeyDLEKCPKDASKJES-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.25
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one

1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one (PubChem CID 116624763) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one
PubChem CID116624763
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2ccccc2F)c1=O
InChIInChI=1S/C13H15FN2O/c1-2-7-15-8-9-16(13(15)17)10-11-5-3-4-6-12(11)14/h3-6,8-9H,2,7,10H2,1H3
InChIKeyDLEKCPKDASKJES-UHFFFAOYSA-N
XLogP2.25
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 107347736
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one
CID 80579569
2-fluoro-3-[(2-oxo-3-propylimidazol-1-yl)methyl]benzonitrile
CID 107115055
1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
CID 105375364
1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624666
1-[(2-fluorophenyl)methyl]pyridin-2-one
CID 664770
1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one
CID 80582560
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylimidazol-2-one
CID 116624629
1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one
CID 116624300
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one
CID 107353254
1-[(2-fluorophenyl)methyl]-3-hydroxypyridin-2-one
CID 53235463
N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine
CID 106559103

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one (CID 116624763) is 1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2ccccc2F)c1=O.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one?
The InChIKey is DLEKCPKDASKJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-2-7-15-8-9-16(13(15)17)10-11-5-3-4-6-12(11)14/h3-6,8-9H,2,7,10H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one?
1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one has a molecular weight of 234.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 116624763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).