1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one

C13H14F2N2O — CID 116624666

IUPAC1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C13H14F2N2O/c1-2-5-16-6-7-17(13(16)18)9-10-3-4-11(14)12(15)8-10/h3-4,6-8H,2,5,9H2,1H3
InChIKeyUMLXQALBXCONHT-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.39
Rot. Bonds4

About 1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one

1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one (PubChem CID 116624666) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one
PubChem CID116624666
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C13H14F2N2O/c1-2-5-16-6-7-17(13(16)18)9-10-3-4-11(14)12(15)8-10/h3-4,6-8H,2,5,9H2,1H3
InChIKeyUMLXQALBXCONHT-UHFFFAOYSA-N
XLogP2.39
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one
CID 80579569
1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624763
3-[(2-oxo-3-propylimidazol-1-yl)methyl]benzoic acid
CID 80579769
1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
CID 105375364
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one
CID 107522950
1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol
CID 142249785
1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione
CID 95917552
2-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzonitrile
CID 107882041
1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 107347736
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one
CID 80581760
1-[(3,4-difluorophenyl)methyl]-4-phenylpyrazine-2,3-dione
CID 95921598
3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 55239205

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one (CID 116624666) is 1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one?
The InChIKey is UMLXQALBXCONHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-2-5-16-6-7-17(13(16)18)9-10-3-4-11(14)12(15)8-10/h3-4,6-8H,2,5,9H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one?
1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one has a molecular weight of 252.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 116624666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).